1793-07-3

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1793-07-3 Structure

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

Safety Data	Back 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 Information	Back Directory
[Uses] Methyl 2-isocyanatobenzoate may be used for the following syntheses: 3H-quinazolin-4-ones A1120, a high affinity (K_i = 8.3nM) non-retinoid ligand for the Retinol-binding protein trans- and cis-N-phenyl-N′-(4-phenoxy)cyclohexylureas

Spectrum Detail	Back Directory
[Spectrum Detail] 2-(METHOXYCARBONYL)PHENYL ISOCYANATE(1793-07-3)FT-IR

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