Carbanilic acid, o-chloro-, methyl ester
Basic information
- CAS
20668-13-7- Standard SMILES
COC(=O)Nc1ccccc1Cl- InChIKey
SJTVPRCAJODHGA-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO2
- Average molar mass
- 185.61 g/mol
- Monoisotopic mass
- 185.0243562
Names & identifiers
- Preferred name
- Carbanilic acid, o-chloro-, methyl ester
- IUPAC
- methyl N-(2-chlorophenyl)carbamate
- English name
- (2-Chlorophenyl)carbamic acid methyl ester
- Molecular formula
- C8H8ClNO2
- Molecular weight
- 185.61
Names & synonyms
methyl N-(2-chlorophenyl)carbamateUNII-UKU5YTI0XJHSDB 2755CARBANILIC ACID, O-CHLORO-, METHYL ESTERmethyl O-chlorocarbanilateMethyl 2-chlorophenylcarbamateCarbamic acid, (2-chlorophenyl)-, methyl esterMETHYL 2-CHLOROCARBANILATECarbamic acid, (o-chlorophenyl)-, methyl esterDTXSID00174710METHYL (O-CHLOROPHENYL)CARBAMATECARBAMIC ACID, N-(2-CHLOROPHENYL)-, METHYL ESTER
Show more names
o-Chlorocarbanilic acid methyl ester(2-Chlorophenyl)carbamic acid methyl ester
CARBAMIC ACID, (O-CHLOROPHENYL)-, METHYL ESTER [HSDB]RefChem:123476DTXCID4097201Carbamic acid, (ochlorophenyl), methyl esterCarbamic acid, (2chlorophenyl), methyl ester20668-13-7methyl (2-chlorophenyl)carbamateUKU5YTI0XJ
Database identifiers
- CAS
20668-13-7- PubChem CID
- 30216
- DTXSID
DTXSID00174710- UNII
- UKU5YTI0XJ
- Nikkaji
- J122.199J
Properties
Computed structural properties
- XLogP
- 2.1
- 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
Chemical ClassesOther Classes -> Carbamic Acid Esters
LogP2.19
Vapor Pressure0.00831 [mmHg]
Physicochemical properties
- Boiling point
- 138 · 138-138.5 °C(Press: 18 Torr)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- 12.93 · 12.93±0.70(Predicted)
- FDA UNII
- 5 YTI0XJ · UKU5YTI0XJ
- Hazardous Substances Data
- 20668 · 20668-13-7(Hazardous Substances Data)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Hazardous Substances Data
- 20668-13-7(Hazardous Substances Data)
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Compound notes
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