Basic information
- CAS
62593-23-1- Standard SMILES
CN(N=O)C(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
MLORMOQFXPJRKA-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.09535693
Overview
N-nitrosocarbofuran, but not carbofuran, induces apoptosis and cell cycle arrest in Chines hamster lung fibroblast cells; structure in first source
Names & identifiers
- Preferred name
- N-Nitrosocarbofuran
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-nitrosocarbamate
- English name
- N-Nitrosocarbofuran
- Molecular formula
- C12H14N2O4
- Molecular weight
- 250.25
Names & synonyms
N-nitrosocarbofuran62593-23-1DTXSID00211639NOCF cpdRefChem:163984DTXCID80134130(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-nitrosocarbamateCCRIS 92092,3-Dihydro-2,2-dimethyl-7-benzofuranyl nitroso-methyl carbamateMethylnitrosocarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester7B8WE3A5GYNITROSOCARBOFURAN, N-
Show more names
FC625000Methylnitrosocarbamic acid 2,3-dihydro-2,2-dimethylbenzofuran-7-yl esterN-Nitroso-N-methylcarbamic acid 2,3-dihydro-2,2-dimethylbenzofuran-7-yl esterN-Nitroso-N-methylcarbamic acid 2,2-dimethyl-2,3-dihydrobenzofuran-7-yl esterCarbamic acid, methylnitroso-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester (9CI)
Carbamic acid, methylnitroso-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterCARBAMIC ACID, METHYLNITROSO-, 2,3-DIHYDRO-2,2-DIMETHYLBENZOFURAN-7-YL ESTER2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl methyl(nitroso)carbamate
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 345
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
Physicochemical properties
- Boiling point
- 393.38 °C · 393.38°C (rough estimate)
- Density
- 1.2403 · 1.2403 (rough estimate)
- refractive index
- 1.666 · 1.6660 (estimate)
- Toxicity
- 2500 ng/plate · mmo-sat 2500 ng/plate TCMUE9 1,13,84
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee NITROSAMINES. See Carbofuran.
Safety data
- Toxicity
- mmo-sat 2500 ng/plate TCMUE9 1,13,84
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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