| Identification | Back Directory | [Name]
2-(METHOXYCARBONYL)PHENYL ISOCYANATE | [CAS]
1793-07-3 | [Synonyms]
METHYL 2-ISOCYANATOBENZOATE
Methyl 2-isocyanatobenzoate 97%
2-(METHOXYCARBONYL)PHENYL ISOCYANATE
2-Isocyanatobenzoic acid methyl ester
Benzoic acid, 2-isocyanato-, methyl ester
Methyl 2-isocyanatobenzoateMethyl 2-isocyanatobenzoate
2-(Carbomethoxy)phenyl isocyanate~Methyl 2-isocyanatobenzoate | [Molecular Formula]
C9H7NO3 | [MDL Number]
MFCD00013848 | [MOL File]
1793-07-3.mol | [Molecular Weight]
177.16 |
| Chemical Properties | Back Directory | [Melting point ]
45-49 °C(lit.)
| [Boiling point ]
101 °C2 mm Hg(lit.)
| [density ]
1.15±0.1 g/cm3 (20 ºC 760 Torr) | [refractive index ]
1.5200 (estimate) | [Fp ]
145-146°C/16mm | [form ]
Solid or Crystalline Solid | [color ]
White to off-white | [Water Solubility ]
Hydrolyzes in water. | [Sensitive ]
Moisture Sensitive | [BRN ]
1241370 | [InChI]
1S/C9H7NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-5H,1H3 | [InChIKey]
ATFKBWNEVZUSKC-UHFFFAOYSA-N | [SMILES]
COC(=O)c1ccccc1N=C=O |
| Hazard Information | Back Directory | [Uses]
Methyl 2-isocyanatobenzoate may be used for the following syntheses:
- 3H-quinazolin-4-ones
- A1120, a high affinity (Ki = 8.3nM) non-retinoid ligand for the Retinol-binding protein
- trans- and cis-N-phenyl-N′-(4-phenoxy)cyclohexylureas
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