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1793-07-3

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1793-07-3 Structure

1793-07-3 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-27-37/39
[RIDADR ]

2811
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Hazard InformationBack 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
Spectrum DetailBack Directory
[Spectrum Detail]

2-(METHOXYCARBONYL)PHENYL ISOCYANATE(1793-07-3)FT-IR
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