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IUPAC Name: But-3-yn-2-yl N-(3-Chlorophenyl)carbamate
Following is the structure of m-Chlorophenylcarbamic acid-1-methyl-2-propynyl ester (CAS NO.1967-16-4):
Empirical Formula: C11H10ClNO2
Molecular Weight: 223.6556 g/mol
EINECS: 217-815-4
Density: 1.281 g/cm3
Flash Point: 117.1 °C
Storage tempreture: 0-6 °C
Surface Tension: 49.2 dyne/cm
Enthalpy of Vaporization: 50.82 kJ/mol
Boiling Point: 270 °C at 760 mmHg
Vapour Pressure: 0.00701 mmHg at 25 °C
Index of Refraction of m-Chlorophenylcarbamic acid-1-methyl-2-propynyl ester (CAS NO.1967-16-4): 1.589
Canonical SMILES: CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl
InChI: InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)
InChIKey: ULBXWWGWDPVHAO-UHFFFAOYSA-N
1. | orl-rat LD50:2380 mg/kg | 85JFAN Agrochemicals Handbook ,Hartley, D., andH. Kidd, eds.,Nottingham, UK.: Royal Soc. of Chemistry,1983.A071. | ||
2. | ipr-mus LD50:250 mg/kg | 85DPAN Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel Werner Perkow, Berlin, Germany.: Verlag Paul Parey,1971-1976. | ||
3. | unr-mus LD50:15,500 µg/kg | 85GDA2 CRC Handbook of Antibiotic Compounds. 1 (1980),262. |
Poison by intraperitoneal and possibly other routes. Moderately is toxic by ingestion. A pesticide. See also CARBAMATES and ESTERS. When heated to decomposition, m-Chlorophenylcarbamic acid-1-methyl-2-propynyl ester (CAS NO.1967-16-4) emits very toxic fumes of Cl− and NOx.
Hazard Codes:N
Risk Statements: 51/53
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 61
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN3077 9/PG 3
RTECS: FD8575000
m-Chlorophenylcarbamic acid-1-methyl-2-propynyl ester , its cas register number is 1967-16-4. It also can be called (3-Chlorophenyl)-carbamicaci1-methyl-2-propynylester ; 1-Butyn-3-yl-m-Chlorophenylcarbamate ; 1-butyn-3-ylm-Chlorophenylcarbamate ; 1-Methyl-2-propynylm-chlorocarbanilate ; Chlorbupham ; 1-Methylprop-2-ynyl3-chlorocarbanilate ; 1-Methylpropynyl3-chlorophenylcarbamate ; 3-Chlorphenyl-carbamidsaure-butin-(1)-yl(3)-ester ; Carbamic acid, (3-chlorophenyl)-, 1-methyl-2-propynyl ester ; and 1-methylpropynylester of 3-chlorophenylcarbamic acid . Its classification code are Agricultural Chemical; Drug / Therapeutic Agent; Herbicide and Natural Product.