Compound: METHYL ISOCYANATE
SMILES: O=C=NC
InChIKey: HAMGRBXTJNITHG-UHFFFAOYSA-N
Synonyms: METHYL ISOCYANATE, Isocyanatomethane, 624-83-9, Methane, isocyanato-, methylisocyanate, Methyl carbonimide, Methylcarbylamine, Isocyanate de methyle, Iso-cyanatomethane, Methylisocyanaat, Isocyanic acid, methyl ester, Methyl isocyanat, Metil isocianato, Methylisokyanat, RCRA waste number P064, DTXSID1023786, TL 1450, C588JJ4BV9, methylimino-oxomethane, CHEBI:59059, NSC-64323, DTXCID503786, Methyl ester of isocyanic acid, RefChem:6023, 210-866-3, methylimino(oxo)methane, (Methylimino)(oxo)methane, NSC 64323, UN 2480, CH3NCO, Isocyanate, methyl-, Methylisokyanat [Czech], Methylisocyanaat [Dutch], Methyl isocyanat [German], Metil isocianato [Italian], MIC [Isocyanate], CCRIS 1385, Isocyanate de methyle [French], HSDB 1165, MP-NCO, EINECS 210-866-3, UN2480, RCRA waste no. P064, Methyl isocyanat  [German], BRN 0605318, UNII-C588JJ4BV9, AI3-28280, Methyl isocynate, Methyl-isocyanate, isocyanatedemethyle, MeNCO, Me-NCO, Epitope ID:122968, WLN: OCN1, methane, (methylimino)oxo-, SCHEMBL2765, (Methylimino)(oxo)methane #, 4-04-00-00247 (Beilstein Handbook Reference), SCHEMBL465635, METHYL ISOCYANATE [MI], GTPL6290, SCHEMBL9285266, CHEMBL1608558, METHYL ISOCYANATE [HSDB], SCHEMBL10353878, SCHEMBL30128666, ALBB-007556, NSC64323, Tox21_201060, MFCD00002038, MFCD01867272, STK504617, AKOS005171723, DB12765, GS-3554, Methyl isocyanate [UN2480]  [Poison], NCGC00091082-01, NCGC00091082-02, NCGC00258613-01, CAS-624-83-9, InChI=1/C2H3NO/c1-3-2-4/h1H, METHYLISOCYANATE  1 X 500MG NEAT, NS00022542, C22645, H24636, Q410431, ScavengePore(TM) benzyl isocyanate, macroporous, 40-70 mesh, extent of labeling: 0.5-2.0 mmol/g loading, StratoSpheres(TM) PL-NCO (Isocyanate) resin, 150-300 mum, extent of labeling: >=1.5 mmol/g loading, 1 % cross-linked
Theoretical properties:
molecular_formula: C2H3NO
molecular_weight: 57.05 g/mol
exact_mass: 57.021463719 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 4
topological_polar_surface_area: 29.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Sharp, unpleasant odor
boiling_point: 102 °F at 760 mmHg (EPA, 1998)
melting_point: -112 °F (EPA, 1998)
density: 0.9599 at 68 °F (EPA, 1998) - Less dense than water; will float
solubility: Decomposes (NTP, 1992)
flash_point: 19 °F (EPA, 1998)
vapor_pressure: 348 mmHg at 68 °F (EPA, 1998)
Descriptions:
pubchem: Methyl Isocyanate (MIC) can cause developmental toxicity and female reproductive toxicity according to an independent committee of scientific and health experts.
chebi: The isocyanate that is methane modified by a single isocyanato substituent.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Methyl isocyanate (MIC) is an organic compound with the molecular formula CH3NCO. Synonyms are isocyanatomethane and methyl carbylamine.  Methyl isocyanate is a chemical intermediate in the Hofmann rearrangement of acetamide and the production of carbamate pesticides (such as carbaryl, carbofuran, methomyl, and aldicarb). It has also been used in the production of rubbers and adhesives. As an extremely toxic and irritating compound, it is very hazardous to human health. MIC was the principal toxicant involved in the Bhopal gas disaster, which short-term killed 4,000–8,000 people and caused permanent injury and premature deaths to approximately 15,000–20,000. It is also a very potent lachrymatory agent.