Chloral - ≥90%(GC) , CAS No.75-87-6

CAS: 75-87-6 Cat. No.: C154049 Formula: C₂HCl₃O Peso molecolare: 147.38 Numero EC: 200-911-5

GRADE & PURITY ≥90%(GC)

Synonyms

CHLORAL | Cloralio [Italian] | UN2075 | CCl3CHO | BRN 0506422 | Trichloracetaldehyde | UNII-FLI06WS32H | CHLORAL, ANHYDROUS, STABILIZED | UN 2075 (Salt/Mix) | Trichloroacetaldehyde | TRI-CHLORO-ACETALDEHYDE | Trichloro-Acetaldehyde | FLI06WS32H | STR00138

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinonimi

CHLORAL | Cloralio [Italian] | UN2075 | CCl3CHO | BRN 0506422 | Trichloracetaldehyde | UNII-FLI06WS32H | CHLORAL, ANHYDROUS, STABILIZED | UN 2075 (Salt/Mix) | Trichloroacetaldehyde | TRI-CHLORO-ACETALDEHYDE | Trichloro-Acetaldehyde | FLI06WS32H | STR00138

Specifiche e purezza

≥90%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice,FedEx DG Service

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥90%(GC)

Nomi e identificatori

• Pubchem Sid: 504751088
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751088
• Sorrisi canonici: C(=O)C(Cl)(Cl)Cl
• IUPAC Name: 2,2,2-trichloroacetaldehyde
• InChIKey: HFFLGKNGCAIQMO-UHFFFAOYSA-N
• INCHI: 1S/C2HCl3O/c3-2(4,5)1-6/h1H
• Isomeri SMILES: C(=O)C(Cl)(Cl)Cl
• CAS alternativo: 302-17-0
• Numero UN: 2075
• Gruppo di imballaggio: II
• Peso molecolare: 147.38
• Reaxy-Rn: 506422
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506422&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Organic oxides Hydrocarbon derivatives Alkyl chlorides Aldehydes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Alkyl halide - Alkyl chloride - Aldehyde - Aliphatic acyclic compound
• Descrizione: 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 - aldehyde

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 147.380 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 145.909 Da
• Monoisotopic Mass: 145.909 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 54.300
• 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

Riferimenti

1. Jiaojiao Li, Jihua Wang, Jianye Li, Xin Yang, Jiangling Wan, Chuansheng Zheng, Qing Du, Guofeng Zhou, Xiangliang Yang.  (2021)  Fabrication of Fe3O4@PVA microspheres by one-step electrospray for magnetic resonance imaging during transcatheter arterial embolization.  Acta Biomaterialia,      [PMID:34245893] [10.1016/j.actbio.2021.07.006]

2. Feilong Dong, Jianing Chen, Cong Li, Xingmao Ma, Jingjing Jiang, Qiufeng Lin, Chenhong Lin, Hongyan Diao.  (2019)  Evidence-based analysis on the toxicity of disinfection byproducts in vivo and in vitro for disinfection selection.  WATER RESEARCH,      [PMID:31445306] [10.1016/j.watres.2019.114976]

3. Haipei Huang, Da Sheng, Lingjun Bu, Shumin Zhu, Shiqing Zhou.  (2025)  Mechanistic insights into enhanced haloacetaldehyde formation from algal organic matters after pre-ozonation: A combined computational and experimental study.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:39914340] [10.1016/j.jhazmat.2025.137503]

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥90% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 75-87-6, the molecular formula is C2HCl3O, and the molecular weight is 147.38 g/mol. InChIKey HFFLGKNGCAIQMO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.