Basic information
- CAS
34722-42-4- Standard SMILES
COC(=O)CSCc1ccc(Cl)cc1- InChIKey
SOZGVMJZDNRJJE-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2S
- Average molar mass
- 230.71 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(4-chlorobenzylthio)acetate
- IUPAC
- methyl 2-[(4-chlorophenyl)methylsulfanyl]acetate
- English name
- methyl 2-{[(4-chlorophenyl)methyl]sulfanyl}acetate
- Molecular formula
- C10H11ClO2S
- Molecular weight
- 230.71114
Names & synonyms
34722-42-4METHYL 2-(4-CHLOROBENZYLTHIO)ACETATERefChem:813499666-880-9Methyl 2-[(4-chlorophenyl)methylsulfanyl]acetatemethyl 2-(4-chlorobenzylmercapto)-acetateSCHEMBL11265645SOZGVMJZDNRJJE-UHFFFAOYSA-Nmethyl p-chlorobenzylmercapto-acetateSTK444755AKOS003321658methyl [(4-chlorobenzyl)sulfanyl]acetate
Show more names
methyl 2-{[(4-chlorophenyl)methyl]sulfanyl}acetate
ST50444928methyl 2-[(4-chlorophenyl)methylthio]acetate
Database identifiers
- CAS
34722-42-4- PubChem CID
- 3311340
- EC Number
- 666-880-9
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
17 records
Compound notes
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