-
Name
2-(1,3-dioxolan-2-yl)phenyl methyl(nitroso)carbamate
- EINECS
- CAS No. 100836-61-1
- Density 1.39g/cm3
- Solubility
- Melting Point
- Formula C11H12 N2 O5
- Boiling Point 343.2°C at 760 mmHg
- Molecular Weight 220.25
- Flash Point 161.3°C
- Transport Information
- Appearance
- Safety Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS and CARBAMATES.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Carbamic acid, methylnitroso-, o-(1,3-dioxolan-2-yl)phenyl ester Chemical Properties
Molecule structure of Carbamic acid, methylnitroso-, o-(1,3-dioxolan-2-yl)phenyl ester (CAS NO.100836-61-1):
IUPAC Name: [2-(1,3-Dioxolan-2-yl)phenyl] N-methyl-N-nitrosocarbamate
Molecular Weight: 252.22338 g/mol
Molecular Formula: C11H12N2O5
Density: 1.39 g/cm3
Boiling Point: 343.2 °C at 760 mmHg
Flash Point: 161.3 °C
Index of Refraction: 1.585
Molar Refractivity: 60.83 cm3
Molar Volume: 181.4 cm3
Polarizability: 24.11×10-24 cm3
Surface Tension: 50.9 dyne/cm
Enthalpy of Vaporization: 58.7 kJ/mol
Vapour Pressure: 7.17E-05 mmHg at 25 °C
XLogP3-AA: 0.8
H-Bond Acceptor: 6
Rotatable Bond Count: 3
Exact Mass: 252.074622
MonoIsotopic Mass: 252.074622
Topological Polar Surface Area: 77.4
Heavy Atom Count: 18
Complexity: 306
Canonical SMILES: CN(C(=O)OC1=CC=CC=C1C2OCCO2)N=O
InChI: InChI=1S/C11H12N2O5/c1-13(12-15)11(14)18-9-5-3-2-4-8(9)10-16-6-7-17-10/h2-5,10H,6-7H2,1H3
InChIKey of Carbamic acid, methylnitroso-, o-(1,3-dioxolan-2-yl)phenyl ester (CAS NO.100836-61-1): RIJUYWWRABLOHF-UHFFFAOYSA-N
Carbamic acid, methylnitroso-, o-(1,3-dioxolan-2-yl)phenyl ester Toxicity Data With Reference
| 1. | mmo-sat 1/µL/plate | MUREAV Mutation Research. 48 (1977),225. |
Carbamic acid, methylnitroso-, o-(1,3-dioxolan-2-yl)phenyl ester Safety Profile
Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS and CARBAMATES.
Carbamic acid, methylnitroso-, o-(1,3-dioxolan-2-yl)phenyl ester Specification
Carbamic acid, methylnitroso-, o-(1,3-dioxolan-2-yl)phenyl ester (CAS NO.100836-61-1) is also named as Methylnitrosocarbamic acid o-(1,3-dioxolan-2-yl)phenyl ester ; Nitroso dioxacarb ; o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate .
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