Basic information
- CAS
57913-41-4- Standard SMILES
O=C(Cl)OCCc1ccccc1- InChIKey
DKULSTMKCYRQCP-UHFFFAOYSA-N- Molecular formula
- C9H9ClO2
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.02910721
Names & identifiers
- Preferred name
- 2-Phenylethyl chloroformate
- IUPAC
- 2-phenylethyl carbonochloridate
Names & synonyms
2-phenylethyl chloroformateRefChem:478170870-320-057913-41-42-Phenylethyl carbonochloridatephenethyl carbonochloridatechlorocarbonic acid phenethyl esterCarbonochloridic acid, 2-phenylethyl esterphenethyl chloroformatephenethylcarbonochloridate2-phenylethylcarbonochloridateSCHEMBL3845851
Show more names
DTXSID70579531DKULSTMKCYRQCP-UHFFFAOYSA-NHCA91341EN300-220729
Database identifiers
- CAS
57913-41-4- PubChem CID
- 15917590
- DTXSID
DTXSID70579531- EC Number
- 870-320-0
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, 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%)
Related reactions
10 records
Compound notes
Loading…