All Photos(2)
About This Item
Linear Formula:
OCNC6H4CO2CH3
CAS Number:
Molecular Weight:
177.16
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
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
Signal Word
Danger
Hazard Statements
Precautionary Statements
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 Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Alexander V Lygin et al.
Organic letters, 11(2), 389-392 (2008-12-23)
ortho-Lithiophenyl isocyanide has been generated from ortho-bromophenyl isocyanide and successfully employed toward the synthesis of 2-substituted phenyl isocyanides as well as 2,3-disubstituted 3H-quinazoline-4-ones and 3H-quinazolin-4-thiones.
Chemistry of 4H-3, 1-Benzoxazin-4-ones.
El-Mekabaty A.
International Journal of Modern Organic Chemistry, 2(2), 81-121 (2013)
Alykhan Motani et al.
The Journal of biological chemistry, 284(12), 7673-7680 (2009-01-17)
Retinol-binding protein 4 (RBP4) transports retinol from the liver to extrahepatic tissues, and RBP4 lowering is reported to improve insulin sensitivity in mice. We have identified A1120, a high affinity (K(i) = 8.3 nm) non-retinoid ligand for RBP4, which disrupts
Ting Chen et al.
Journal of medicinal chemistry, 56(23), 9457-9470 (2013-11-23)
Heme-regulated inhibitor kinase (HRI), a eukaryotic translation initiation factor 2 alpha (eIF2α) kinase, plays critical roles in cell proliferation, differentiation, and adaptation to cytoplasmic stress. HRI is also a critical modifier of hemoglobin disorders such as β-thalassemia. We previously identified
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