1,1,2-Trichloroethane - Standard for GC, ≥99.8%(GC) , CAS No.79-00-5

CAS: 79-00-5 Cat. No.: T110591 Peso molecular: 133.4 Beilstein Registry Number: 1731726 Número EC: 201-166-9 PubChem CID: 6574

GRADE & PURITY Standard for GC, ≥99.8%(GC)

Synonyms

1,1,2-TRICHLOROETHANE|79-00-5|Ethane, 1,1,2-trichloro-|Vinyltrichloride|beta-Trichloroethane|1,1,2-Trichlorethane|1,2,2-Trichloroethane|Vinyl trichloride|Ethane trichloride|.beta.-T|RCRA waste number U227|RCRA waste number U359|NCI-C04579|.beta.-Trichloro

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

1, 1, 2-TRICHLOROETHANE | 79-00-5 | Ethane, 1, 1, 2-trichloro- | Vinyltrichloride | beta-Trichloroethane | 1, 1, 2-Trichlorethane | 1, 2, 2-Trichloroethane | Vinyl trichloride | Ethane trichloride | .beta.-T | RCRA waste number U227 | RCRA waste number U359 | NCI-C04579 | .beta.-Trichloro

Especificaciones y pureza

Standard for GC, ≥99.8%(GC)

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Standard for GC

Pureza

≥99.8%(GC)

Nombres e identificadores

• Sonrisas canónicas: C(C(Cl)Cl)Cl
• IUPAC Name: 1,1,2-trichloroethane
• InChIKey: UBOXGVDOUJQMTN-UHFFFAOYSA-N
• INCHI: 1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2
• Isómeros SMILES: C(C(Cl)Cl)Cl
• WGK Alemania: 3
• PubChem CID: 6574
• Número ONU: 2810
• Grupo de embalaje: I
• Peso molecular: 133.4
• Beilstein: 1731726

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HMGCR Tclin HMG-CoA reductase (2475 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

INSR Tclin Insulin receptor (5558 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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ACE Tclin Angiotensin-converting enzyme (1423 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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DRD4 Tchem Dopamine D4 receptor (7907 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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HRH2 Tclin Histamine H2 receptor (5428 Activities)

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ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)

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HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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CALCR Tclin Calcitonin receptor (2215 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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HRH1 Tclin Histamine H1 receptor (7573 Activities)

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ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR4 Tclin Serotonin 4 (5-HT4) receptor (2068 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ESR2 Tclin Estrogen receptor beta (9272 Activities)

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CYSLTR1 Tclin Cysteinyl leukotriene receptor 1 (2118 Activities)

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ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)

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CHRM4 Tclin Muscarinic acetylcholine receptor M4 (6041 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Agtr2 Angiotensin II type 2 (AT-2) receptor (803 Activities)

Discover Target: Agtr2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mc4r Melanocortin receptor 4 (1205 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Ltc4s Leukotriene C4 synthase (1 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Sigmar1 Sigma opioid receptor (160 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Npy1r Neuropeptide Y receptor type 1 (8 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cckar Cholecystokinin A receptor (90 Activities)

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Nos2 Nitric oxide synthase, inducible (3573 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Mmp9 Matrix metalloproteinase 9 (38 Activities)

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Aspergillus nidulans (364 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive.
• Índice de refracción: 1.471
• Punto de ebullición (°C): 110-115°C
• Punto de fusión (°C): -37°C
• Peso molecular: 133.400 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 131.93 Da
• Monoisotopic Mass: 131.93 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 18.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Zezheng Zhang, Yongzhong Jia, Bing Liu, Huaxin Sun, Yan Jing, Quanyou Zhang, Fei Shao, Mixiang Qi, Ying Yao.  (2020)  Study on behavior of lithium ion in solvent extraction and isotope separation.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2020.114709]

2. Pengze Zhang, Zhaobin Jiang, Yanhong Cui, Guanqun Xie, Yangzhen Jin, Lingling Guo, Yiqi Xu, Qunfeng Zhang, Xiaonian Li.  (2019)  Catalytic performance of ionic liquid for dehydrochlorination reaction: Excellent activity and unparalled stability.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2019.117757]

3. Siyang Tang, Zhen Liu, Xiaowei Yan, Ning Li, Ruihua Cheng, Xuelian He, Boping Liu.  (2014)  Kinetic studies on the pyrrole–Cr-based Chevron-Phillips ethylene trimerization catalyst system.  APPLIED CATALYSIS A-GENERAL,      [PMID:] [10.1016/j.apcata.2014.04.006]

4. Chunyun Gu, Jiayi An, Shuyu Liu, Feng Xiong, Wei Zhou, Liting Tian, Yuruo Wan, Qian Wu, Jie Ma.  (2025)  Degradation of 15 halogenated hydrocarbons by 5 unactivated in-situ chemical oxidation oxidants.  ENVIRONMENTAL TECHNOLOGY,      [PMID:39813303] [10.1080/09593330.2025.2450557]

5. Yan Li, Lian Zhou, Juntao Zhang, Yake Wang, Guansheng Liu, Jingping He, Hua Zhong.  (2024)  Hematite as a natural mineral in activating persulfate to degrade chlorinated compounds: combined effects of soluble iron release and surface activation.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2024.112184]

6. Yangzhen Jin, Yebin Zhou, Pengze Zhang, Yi Liu, Chunshan Lu, Xiaonian Li.  (2024)  Ionic liquid catalysts for dehydrochlorination: Stability, reaction mechanism, and catalyst optimization.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.156628]

7. Sa Xiao, Lina Zhang, Lian Zhou, Hua Zhong, Mark L Brusseau, Yan Li, Yake Wang, Guansheng Liu, Juntao Zhang.  (2024)  The long-term effect of Fe3O4 in activating persulfate to degrade refractory organic contaminants for groundwater remediation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.148801]

8. Wang Jian, Sun Yanhe, Xue Xiaohang, Luo Yifan, Huo Tianwei, Chen Fang, Yu Li, Gu Jun, Yao Senhan, Zhao Xuezeng, Li Feiran, Li Zhen.  (2025)  Cotton-Based Janus fabrics with asymmetric superwettability for efficient emulsion separation.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2025.163896]

9. Yingying Xu, Xiaomeng Xue, Lixiong Wu, Zhikai Gan, Menglu Chen, Qun Hao.  (2026)  Multiband Infrared Photodetection Based on Colloidal Quantum Dot.  Photonics,  13  (1): (89).  [PMID:] [10.3390/photonics13010089]