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439983

Methyl 2-isocyanatobenzoate

97%

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About This Item

Linear Formula:
OCNC6H4CO2CH3
CAS Number:
1793-07-3
Molecular Weight:
177.16
NACRES:
NA.22
PubChem Substance ID:
24867555
UNSPSC Code:
12352100
MDL number:
MFCD00013848
Assay:
97%
Form:
solid
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Quality Segment

100

assay

97%

form

solid

bp

101 °C/2 mmHg (lit.)

mp

45-49 °C (lit.)

functional group

ester, isocyanate

SMILES string

COC(=O)c1ccccc1N=C=O

InChI

1S/C9H7NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-5H,1H3

InChI key

ATFKBWNEVZUSKC-UHFFFAOYSA-N

Application

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

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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