1-Chloro-4-[[(2-chloroethyl)thio]methyl]benzene
Basic information
- CAS
71501-38-7- Standard SMILES
ClCCSCc1ccc(Cl)cc1- InChIKey
HYRQROHDRSJJOK-UHFFFAOYSA-N- Molecular formula
- C9H10Cl2S
- Average molar mass
- 221.15 g/mol
- Monoisotopic mass
- 219.9880269
Names & identifiers
- Preferred name
- 1-Chloro-4-[[(2-chloroethyl)thio]methyl]benzene
- IUPAC
- 1-chloro-4-(2-chloroethylsulfanylmethyl)benzene
- English name
- 1-chloro-4-[[(2-chloroethyl)thio]methyl]benzene
- Molecular formula
- C9H10Cl2S
- Molecular weight
- 221.15
Names & synonyms
71501-38-71-CHLORO-4-[[(2-CHLOROETHYL)THIO]METHYL]BENZENEEINECS 275-566-71-Chloro-4-(((2-chloroethyl)thio)methyl)benzeneRefChem:75399275-566-71-chloro-4-(2-chloroethylsulfanylmethyl)benzene(4-Chlorobenzyl)(2-chloroethyl)sulfaneBenzene,1-chloro-4-[[(2-chloroethyl)thio]methyl]-DTXSID70991971HYRQROHDRSJJOK-UHFFFAOYSA-N1-CHLORO-4-{[(2-CHLOROETHYL)SULFANYL]METHYL}BENZENE
Show more names
Benzene, 1-chloro-4-[[(2-chloroethyl)thio]methyl]-
AKOS0243352284-CHLOROBENZYL 2-CHLOROETHYL SULFIDENS00060974
Database identifiers
- CAS
71501-38-7- PubChem CID
- 3018166
- DTXSID
DTXSID70991971- EC Number
- 275-566-7
- Nikkaji
- J289.187E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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