Benzene, 1,2,4-trichloro-5-(chloromethyl)-
Basic information
- CAS
3955-26-8- Standard SMILES
ClCc1cc(Cl)c(Cl)cc1Cl- InChIKey
UBJKMVAYDQUJSJ-UHFFFAOYSA-N- Molecular formula
- C7H4Cl4
- Average molar mass
- 229.9 g/mol
- Monoisotopic mass
- 227.906711
Names & identifiers
- Preferred name
- Benzene, 1,2,4-trichloro-5-(chloromethyl)-
- IUPAC
- 1,2,4-trichloro-5-(chloromethyl)benzene
- English name
- 1,2,4-trichloro-5-(chloromethyl)benzene
- Molecular formula
- C7H4Cl4
- Molecular weight
- 229.92
Names & synonyms
1,2,4-Trichloro-5-(chloromethyl)benzene3955-26-8Benzene, 1,2,4-trichloro-5-(chloromethyl)-UX2FDH9GLCEINECS 223-548-4NSC-141491DTXSID4063242NSC 141491RefChem:562242DTXCID5039644223-548-42,4,5-Trichlorobenzyl chloride
Show more names
NSC141491UNII-UX2FDH9GLC2,5-Trichlorobenzyl chlorideSCHEMBL11779597SCHEMBL28852136Benzene,2,4-trichloro-5-(chloromethyl)-1,2,4-Trichloro-5-(chloromethyl)benzene #NS00030598
Database identifiers
- CAS
3955-26-8- PubChem CID
- 77559
- DTXSID
DTXSID4063242- UNII
- UX2FDH9GLC
- EC Number
- 223-548-4
- Nikkaji
- J217.785D
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 54.38 °C · 54.38°C (estimate)
- Boiling point
- 253.97 °C · 253.97°C (estimate)
- Density
- 1.547 · 1.5470
- refractive index
- 1.5149 · 1.5149 (estimate)
- FDA UNII
- 2 FDH9GLC · UX2FDH9GLC
- EPA Substance Registry System
- 1 · Benzene, 1,2,4-trichloro-5-(chloromethyl)- (3955-26-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,2,4-trichloro-5-(chloromethyl)-: INACTIVE
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Compound notes
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