Benzene, 1-chloro-2-(trichloromethyl)-
Basic information
- CAS
2136-89-2- Standard SMILES
Clc1ccccc1C(Cl)(Cl)Cl- InChIKey
MFHPYLFZSCSNST-UHFFFAOYSA-N- Molecular formula
- C7H4Cl4
- Average molar mass
- 229.9 g/mol
- Monoisotopic mass
- 227.906711
Names & identifiers
- Preferred name
- Benzene, 1-chloro-2-(trichloromethyl)-
- IUPAC
- 1-chloro-2-(trichloromethyl)benzene
- English name
- 2-Chlorobenzotrichloride
- Molecular formula
- C7H4Cl4
- Molecular weight
- 229.92
Names & synonyms
1-Chloro-2-(trichloromethyl)benzene2136-89-22-CHLOROBENZOTRICHLORIDEo-Chlorobenzotrichlorideo-Chlorobenzylidyne chlorideo-ChlorophenyltrichloromethaneBenzene, 1-chloro-2-(trichloromethyl)-NSC 59736DTXSID50871863EINECS 218-377-7Toluene, o,alpha,alpha,alpha-tetrachloro-AI3-02820
Show more names
OCTCO-BenzotrichlorideTIMTEC-BB SBB0075882-Chlorobenzotrichlo2-AMINO CHLORO PHENOLchlorobenzotrichloride,,,2-Tetrachlorotoluene
EC 218-377-7RefChem:562436DTXCID60819478Toluene, o,alpha,alpha,alpha-tetrachloro-(8CI)InChI=1/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-42-CHLOROTRICHLOROTOLUENEalpha,alpha,alpha,2-TetrachlorotolueneBenzene, chloro(trichloromethyl)-
Database identifiers
- CAS
2136-89-2、31259-91-3- PubChem CID
- 16494
- DTXSID
DTXSID50871863- UNII
- XVP6GZV7JN
- EC Number
- 218-377-7
- Nikkaji
- J127.136I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 29 · 29-31 °C (lit.)
- Boiling point
- 260 · 260-264 °C (lit.)
- Density
- 1.508 g/mL · 1.508 g/mL at 25 °C (lit.)
- vapor pressure
- 0.5 · 0.5-10.8Pa at 20-50℃
- refractive index
- 1.5836 · 1.5836
- Flash point
- 209 °F · 209 °F
- storage temp.
- Refrigerator
- solubility
- Chloroform, Ethyl Acetate (Slightly)
- form
- Solid
- color
- White to Off-White
- Sensitive
- Moisture Sensitive
- BRN
- 2046639 · 2046639
- InChI
- 1S/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H290 (19.7%): May be corrosive to metals [Warning Corrosive to Metals]
P203, P234, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 188 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzene, 1-chloro-2-(trichloromethyl)-
REACH registered substance: α,α,α,2-tetrachlorotoluene (EC: 218-377-7)
Hazard Classes and CategoriesMet. Corr. 1 (19.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SJ5700000
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29039990
- risk_code
- 22-36-38-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn,Xi
- safety_code
- 26-36/37
- hazard_class
- 8
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-chloro-2-(trichloromethyl)-: ACTIVE
Applications
Uses2-Chlorobenzotrichloride is a chlorinated toluene with mutagenicity.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
2 records
Compound notes
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