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Carbamic acid, (3-chloro-2-oxopropyl)-, 1,1-dimethylethyl ester (9CI)

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Name

Carbamic acid, (3-chloro-2-oxopropyl)-, 1,1-dimethylethyl ester (9CI)

EINECS N/A
CAS No. 137990-82-0 Density 1.144 g/cm3
PSA 58.89000 LogP 1.52340
Solubility N/A Melting Point N/A
Formula C8H14ClNO3 Boiling Point 299.73 °C at 760 mmHg
Molecular Weight 207.657 Flash Point 135.072 °C
Transport Information N/A Appearance White to off-white powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 137990-82-0 (Carbamic acid, (3-chloro-2-oxopropyl)-, 1,1-dimethylethyl ester (9CI)) Hazard Symbols N/A
Synonyms

Urethane

 

Carbamic acid, (3-chloro-2-oxopropyl)-, 1,1-dimethylethyl ester (9CI) Specification

The Carbamic acid, (3-chloro-2-oxopropyl)-, 1,1-dimethylethyl ester (9CI) is an organic compound with the formula C8H14ClNO3. The systematic name of this chemical is tert-butyl N-(3-chloro-2-oxo-propyl)carbamate. With the CAS registry number 137990-82-0, the product's category is N-BOC.

Physical properties about Carbamic acid, (3-chloro-2-oxopropyl)-, 1,1-dimethylethyl ester (9CI) are: (1)ACD/LogP: 0.53; (2)ACD/LogD (pH 5.5): 0.531; (3)ACD/LogD (pH 7.4): 0.531; (4)ACD/BCF (pH 5.5): 1.491; (5)ACD/BCF (pH 7.4): 1.491; (6)ACD/KOC (pH 5.5): 46.334; (7)ACD/KOC (pH 7.4): 46.314; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 55.4 Å2; (12)Index of Refraction: 1.456; (13)Molar Refractivity: 49.326 cm3; (14)Molar Volume: 181.44 cm3; (15)Polarizability: 19.554×10-24cm3; (16)Surface Tension: 35.129 dyne/cm; (17)Density: 1.144 g/cm3; (18)Flash Point: 135.072 °C; (19)Enthalpy of Vaporization: 53.975 kJ/mol; (20)Boiling Point: 299.73 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NCC(=O)CCl
(2)InChI: InChI=1/C8H14ClNO3/c1-8(2,3)13-7(12)10-5-6(11)4-9/h4-5H2,1-3H3,(H,10,12)
(3)InChIKey: UCZJERMRQOJXHU-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H14ClNO3/c1-8(2,3)13-7(12)10-5-6(11)4-9/h4-5H2,1-3H3,(H,10,12)
(5)Std. InChIKey: UCZJERMRQOJXHU-UHFFFAOYSA-N

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