Methyl N-(3-chlorophenyl)carbamate
Basic information
- CAS
2150-88-1- Standard SMILES
COC(=O)Nc1cccc(Cl)c1- InChIKey
SEPMCAVKHUPSMA-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO2
- Average molar mass
- 185.61 g/mol
- Monoisotopic mass
- 185.0243562
Names & identifiers
- Preferred name
- Methyl N-(3-chlorophenyl)carbamate
- IUPAC
- methyl N-(3-chlorophenyl)carbamate
- English name
- Methyl N-(3-chlorophenyl)carbamate
- Molecular formula
- C8H8ClNO2
- Molecular weight
- 185.61
Names & synonyms
2150-88-1METHYL N-(3-CHLOROPHENYL)CARBAMATEDTXSID40175842RefChem:157947DTXCID1098333633-666-1Methyl (3-chlorophenyl)carbamateMFCD00087923Carbamic acid, 3-chlorophenyl-, methyl esterEnamine_005868Cambridge id 5103637Carbamic acid, N-(3-chlorophenyl)-, methyl ester
Show more names
(3-chlorophenyl)aminomethyl formate
methyl 3-chlorophenylcarbamateSCHEMBL1188370SCHEMBL2092596SEPMCAVKHUPSMA-UHFFFAOYSA-NHMS1410K16methyl-N-(3-chlorophenyl)carbamateN-(3-chlorophenyl)methoxycarboxamideAKOS001022202
Database identifiers
- CAS
2150-88-1- PubChem CID
- 16529
- DTXSID
DTXSID40175842- EC Number
- 633-666-1
- Nikkaji
- J540.716H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP2.59
Physicochemical properties
- Melting point
- 81 °C · 81 °C(Solv: methanol (67-56-1))
- Boiling point
- 219.2 · 219.2±23.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- 13.19 · 13.19±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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