1,2,3-Trichloropropane Standard - 2000ug/ml in Purge and Trap Methanol , CAS No.96-18-4

CAS: 96-18-4 Cat. No.: T128156 Molecular Weight: 147.43 Beilstein Registry Number: 1732068 EC Number: 202-486-1 PubChem CID: 7285

GRADE & PURITY 2000ug/ml in Purge and Trap Methanol

Synonyms

1,2,3-TRICHLOROPROPANE|96-18-4|Trichlorohydrin|Allyl trichloride|Propane, 1,2,3-trichloro-|Glycerol trichlorohydrin|Glyceryl trichlorohydrin|NCI-C60220|NSC 35403|1,2,3-Trichloro-propane|3MJ7QCK0Z0|DTXSID9021390|CHEBI:34036|NSC-35403|DTXCID401390|1,2,3-tri

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Overview

Volatile Organic Compounds (VOCs) Single Component Standards US EPA Methods:502.2,524.2,8021,8021A,8021B,624,8240B,8260B

Specifications

Synonyms

1, 2, 3-TRICHLOROPROPANE | 96-18-4 | Trichlorohydrin | Allyl trichloride | Propane, 1, 2, 3-trichloro- | Glycerol trichlorohydrin | Glyceryl trichlorohydrin | NCI-C60220 | NSC 35403 | 1, 2, 3-Trichloro-propane | 3MJ7QCK0Z0 | DTXSID9021390 | CHEBI:34036 | NSC-35403 | DTXCID401390 | 1, 2, 3-tri

Specifications & Purity

2000ug/ml in Purge and Trap Methanol

Storage

Store at 2-8°C

Shipped In

Wet ice, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C(C(CCl)Cl)Cl
• IUPAC Name: 1,2,3-trichloropropane
• InChIKey: CFXQEHVMCRXUSD-UHFFFAOYSA-N
• INCHI: 1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2
• Isomeric SMILES: C(C(CCl)Cl)Cl
• WGK Germany: 3
• RTECS: TZ9275000
• PubChem CID: 7285
• UN Number: 2810
• Packing Group: I
• Molecular Weight: 147.43
• Beilstein: 1732068

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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: organochlorine compound

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

Associated Targets(non-human)

Aspergillus nidulans (364 Activities)

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

Mus musculus (284745 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 147.430 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 145.946 Da
• Monoisotopic Mass: 145.946 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 25.200
• 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

References

1. Mudassir Habib, Meesam Ali, Tehreem Ayaz, Ali Shan, Guilu Zeng, Zhengyuan Zhou, Shuguang Lyu.  (2023)  Degradation of trichloroethylene in aqueous solution by FeS2 catalyst under innovative oxic environments.  ENVIRONMENTAL POLLUTION,      [PMID:37330185] [10.1016/j.envpol.2023.122062]

2. Baohua Yue, Liuming Yan, Shuaiyuan Han, Liqing Xie.  (2013)  Proton Transport Pathways in an Acid–Base Complex Consisting of a Phosphonic Acid Group and a 1,2,3-Triazolyl Group.  JOURNAL OF PHYSICAL CHEMISTRY B,      [PMID:23786448] [10.1021/jp404684e]

3. Hongyan Wang, Huijuan Jin, Jingjing Wang, Xin Wang, Xiuying Li, Jun Yan, Yi Yang.  (2024)  Dehalogenimonas Strain W from Estuarine Sediments Dechlorinates 1,2-Dichloroethane under Elevated Salinity.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:39723812] [10.1021/acs.est.4c08999]