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CAS No.: | 62593-23-1 |
---|---|
Name: | N-NITROSOCARBOFURAN |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H14 N2 O4 |
Molecular Weight: | 250.254 |
Synonyms: | Nitrosocarbofuran |
Density: | 1.28g/cm3 |
Boiling Point: | 336.2°C at 760 mmHg |
Flash Point: | 157.1°C |
Safety: | Questionable carcinogen with experimental carcinogenic data. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS and CARBAMATES. |
PSA: | 68.20000 |
LogP: | 2.51210 |
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Product Name: N-nitrosocarbofuran (CAS NO.62593-23-1)
Molecular Formula: C12H14N2O4
Molecular Weight: 250.28g/mol
Mol File: 62593-23-1.mol
Boiling point: 336.2 °C at 760 mmHg
Flash Point: 157.1 °C
Density: 1.28 g/cm3
Surface Tension: 44.9 dyne/cm
Enthalpy of Vaporization: 57.93 kJ/mol
Vapour Pressure: 0.000114 mmHg at 25°C
XLogP3-AA: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of N-nitrosocarbofuran (CAS NO.62593-23-1):
IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-nitrosocarbamate
Canonical SMILES: CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)N=O)C
InChI: InChI=1S/C12H14N2O4/c1-12(2)7-8-5-4-6-9(10(8)18-12)17-11(15)14(3)13-16/h4-6H,7H2,1-3H3
InChIKey: MLORMOQFXPJRKA-UHFFFAOYSA-N
1. | mmo-sat 2500 ng/plate | TCMUE9 Topics in Chemical Mutagenesis. 1 (1984),13. | ||
2. | dnd-hmn:fbr 10 µmol/L | MUREAV Mutation Research. 44 (1977),1. |
Questionable carcinogen with experimental carcinogenic data. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS and CARBAMATES.
N-nitrosocarbofuran , its CAS NO. is 62593-23-1, the synonyms are 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl nitroso-methyl carbamate ; CCRIS 9209 ; Methylnitrosocarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester ; Nitrosocarbofuran ; Carbamic acid, methylnitroso-, 2,3-dihydro-2,2-dimethylbenzofuran-7-yl ester .