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Basic Information
CAS No.: 3279-46-7
Name: 2-(prop-2-yn-1-yloxy)phenyl methylcarbamate
Molecular Structure:
Molecular Structure of 3279-46-7 (2-(prop-2-yn-1-yloxy)phenyl methylcarbamate)
Formula: C11H11NO3
Molecular Weight: 205.213
Density: 1.161g/cm3
Boiling Point: 319.4°C at 760 mmHg
Flash Point: 147°C
Safety: Poison by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES.
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Chemistry

IUPAC Name: (2-Prop-2-Ynoxyphenyl) N-methylcarbamate 
Following is the structure of Carbamic acid, methyl-, o-(2-propynyloxy)phenyl ester (CAS NO.3279-46-7):
            
Empirical Formula: C11H11NO3
Molecular Weight: 205.2099 g/mol
Surface Tension: 42.8 dyne/cm
Density: 1.161 g/cm3
Flash Point: 147 °C
Enthalpy of Vaporization: 56.1 kJ/mol
Boiling Point: 319.4 °C at 760 mmHg
Vapour Pressure: 0.000339 mmHg at 25 °C
Index of Refraction of Carbamic acid, methyl-, o-(2-propynyloxy)phenyl ester (CAS NO.3279-46-7): 1.534
Canonical SMILES: CNC(=O)OC1=CC=CC=C1OCC#C
InChI: InChI=1S/C11H11NO3/c1-3-8-14-9-6-4-5-7-10(9)15-11(13)12-2/h1,4-7H,8H2,2H3,(H,12,13)
InChIKey: LQLIPNNDDMXSGM-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:80 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 21 (1972),315.
2.    

orl-bwd LD50:45 mg/kg

     JAFCAU    Journal of Agricultural and Food Chemistry. 15 (1967),287.

Safety Profile

Poison by ingestion. When heated to decomposition, Carbamic acid, methyl-, o-(2-propynyloxy)phenyl ester (CAS NO.3279-46-7) emits toxic fumes of NOx. See also CARBAMATES.

Specification

 Carbamic acid, methyl-, o-(2-propynyloxy)phenyl ester , its cas register number is 3279-46-7. It also can be called  2-(2-Propynyloxy)phenol methylcarbamate ; 2-(2-Propynyloxy)phenyl methylcarbamate ; Hercules 9699 ; Mcpop ; and o-(2-Propynyloxy)phenyl methylcarbamate . Its classification code is  Insecticide.