1,2-Dichloro-4-(1-chloroethyl)benzene
Basic information
- CAS
54965-01-4- Standard SMILES
CC(Cl)c1ccc(Cl)c(Cl)c1- InChIKey
RFVRMZZXXWUCEA-UHFFFAOYSA-N- Molecular formula
- C8H7Cl3
- Average molar mass
- 209.5 g/mol
- Monoisotopic mass
- 207.961333
Names & identifiers
- Preferred name
- 1,2-Dichloro-4-(1-chloroethyl)benzene
- IUPAC
- 1,2-dichloro-4-(1-chloroethyl)benzene
- English name
- 1,2-dichloro-4-(1-chloroethyl)benzene
- Molecular formula
- C8H7Cl3
- Molecular weight
- 209.5
Names & synonyms
1,2-Dichloro-4-(1-chloroethyl)benzene54965-01-4EINECS 259-413-1DTXSID60970311RefChem:71853DTXCID701397843259-413-1Benzene, 1,2-dichloro-4-(1-chloroethyl)-SCHEMBL10867874SCHEMBL11311703ECA96501AKOS009236980
Show more names
alpha-Methyl-3,4-dichlorobenzyl chloride1,2-Dichloro-4-(1-chloroethyl )benzene3,4-Dichloro-.alpha.-methylbenzylchloride.alpha.-Methyl-3,4-dichlorobenzyl chloride1,2-Dichloro-4-(1-chloroethyl)benzene #DB-354149NS00059357EN300-258373
Database identifiers
- CAS
54965-01-4- PubChem CID
- 108296
- DTXSID
DTXSID60970311- EC Number
- 259-413-1
- Nikkaji
- J101.785C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 83 · 83-85 °C(Press: 4 Torr)
- Density
- 1.36 g/cm3 · 1.36 g/cm3(Temp: 25 °C)
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Suppliers
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Related reactions
3 records
Compound notes
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