Methyl phenylcarbamate

HCID 17451

Notes Reactions

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Basic information

CAS: 2603-10-3
Standard SMILES: COC(=O)Nc1ccccc1
InChIKey: IAGUPODHENSJEZ-UHFFFAOYSA-N
Molecular formula: C8H9NO2
Average molar mass: 151.16 g/mol
Monoisotopic mass: 151.06332853

Names & identifiers

Preferred name: Methyl phenylcarbamate
IUPAC: methyl N-phenylcarbamate
English name: N-Phenylcarbamic acid methyl ester
Molecular formula: C8H9NO2
Molecular weight: 151.16

Names & synonyms

METHYL N-PHENYLCARBAMATEMethyl phenylcarbamateN-Phenylcarbamic acid methyl esterMethyl carbanilateMethyl phenylurethaneMethyl N-phenylurethaneCarbanilic acid, methyl esterCarbamic acid, N-phenyl-, methyl esterB3L1HPI8NJCarbamic acid, phenyl-, methyl esterNSC-36208phenylcarbamic acid methyl ester

Show more names

methylphenylcarbamateMethylN-Phenylcarbamate>N-phenylcoumarin methyl estercarbamicacid,phenyl-,methylester

N-PHENYL-O-METHYLURETHANEDTXSID00180674N-(METHOXYCARBONYL)ANILINEUNII-B3L1HPI8NJNSC 36208METHANOL CARBANILATECarbamic acid, phenyl-, methyl ester (9CI)IAGUPODHENSJEZ-UHFFFAOYSA-

Database identifiers

CAS: 2603-10-3
PubChem CID: 17451
DTXSID: DTXSID00180674
ChEMBL: CHEMBL4529032
UNII: B3L1HPI8NJ
EC Number: 220-014-2
Nikkaji: J80.527K

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 130

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 47 °C · 47°C
Boiling point: 126 °C · 126 °C / 10mmHg
Density: 1.2023 · 1.2023 (rough estimate)
refractive index: 1.581 · 1.5810 (estimate)
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
pka: 13.86 · 13.86±0.70(Predicted)
color: White to Light yellow to Light red
InChI: InChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKey: IAGUPODHENSJEZ-UHFFFAOYSA-N
SMILES: C(OC)(=O)NC1=CC=CC=C1
FDA UNII: 3 L1HPI8NJ · B3L1HPI8NJ
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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.