1,2,3-Trichloropropene (cis- and trans- mixture) - ≥95%(GC) , CAS No.96-19-5

CAS: 96-19-5 Cat. No.: T161631 Molecular Weight: 145.41 Beilstein Registry Number: 1(4)748 EC Number: 202-487-7 PubChem CID: 5370144

GRADE & PURITY ≥95%(GC)

Synonyms

NSC 164001 | MFCD00018931 | WLN: G1YGU1G | 1,2,3-Trichlor-1-propene | Crystolon 39 | Cis-1,2,3-trichloropropene | cis-1,2,3-trichloro-propene | cis-1,2,3-Trichloro-1-propene | HSDB 888 | EINECS 202-487-7 | 1,2,3-Trichloropropene | EINECS 206-996-5 | Q2728

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

NSC 164001 | MFCD00018931 | WLN: G1YGU1G | 1, 2, 3-Trichlor-1-propene | Crystolon 39 | Cis-1, 2, 3-trichloropropene | cis-1, 2, 3-trichloro-propene | cis-1, 2, 3-Trichloro-1-propene | HSDB 888 | EINECS 202-487-7 | 1, 2, 3-Trichloropropene | EINECS 206-996-5 | Q2728

Specifications & Purity

≥95%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 488195485
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195485
• Canonical Smiles: C(C(=CCl)Cl)Cl
• IUPAC Name: (Z)-1,2,3-trichloroprop-1-ene
• InChIKey: HIILBTHBHCLUER-IWQZZHSRSA-N
• INCHI: 1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2/b3-1-
• Isomeric SMILES: C(/C(=C/Cl)/Cl)Cl
• RTECS: UD2450000
• PubChem CID: 5370144
• UN Number: 2810
• Packing Group: I
• Molecular Weight: 145.41
• Beilstein: 1(4)748

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Vinyl halides
      • Subclass Vinyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Vinyl halides
• Subclass: Vinyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl chlorides
• Alternative Parents: Chloroalkenes Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chloroalkene - Haloalkene - Vinyl chloride - Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Refractive Index: 1.5
• Flash Point(°F): 82°C(lit.)
• Flash Point(°C): 82°C(lit.)
• Boil Point(°C): 145°C
• Molecular Weight: 145.410 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 143.93 Da
• Monoisotopic Mass: 143.93 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 57.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Yang Yang, Wei Ma, Baiyang Chen, Chong Peng, Wang Luo, Huan He.  (2022)  Determining haloacetic acids in drinking water by one-pump column-switching ion chromatography: An online and cost-effective tool for matrix removal and sample enrichment.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2022.107997]

2. Wei Ma, Wenyu Li, Yang Yang, Jie Yang, Baiyang Chen, Yuefeng Xie.  (2022)  Derivatization-free multi-step extraction for trace haloacetic acids analysis with ion chromatography: Performance and mechanisms.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:35605503] [10.1016/j.jhazmat.2022.129166]

3. Wenyu Li, Wei Ma, Yang Yang, Huan He, Baiyang Chen.  (2024)  Enhanced detection of monoiodoacetic acid at ng/L level by ion chromatography with novel derivatization-free pretreatment.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:38335611] [10.1016/j.jhazmat.2024.133729]