Quality Segment
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
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
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves