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5349-24-6

Basic Information
CAS No.: 5349-24-6
Name: N-BUTYL-2-CHLORO-ACETAMIDE
Article Data: 30
Molecular Structure:
Molecular Structure of 5349-24-6 (N-BUTYL-2-CHLORO-ACETAMIDE)
Formula: C6H12ClNO
Molecular Weight: 149.62
Synonyms: 2-Chloro-N-butylacetamide;N-Butyl-2-chloroacetamide;N-Butylchloroacetamide;NSC 1194;a-Chloro-N-butylacetamide;
Density: 1.032 g/cm3
Boiling Point: 268.3 °C at 760 mmHg
Flash Point: 116.1 °C
Hazard Symbols: Xi,Xn
Risk Codes: 22
PSA: 29.10000
LogP: 1.53240
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Specification

The Acetamide,N-butyl-2-chloro-, with the CAS registry number 5349-24-6, is also known as (4-Isobutylphenyl)acetonitrile. This chemical's molecular formula is C6H12ClNO and molecular weight is 149.62. Its systematic name is called N-butyl-2-chloroacetamide. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Acetamide,N-butyl-2-chloro-: (1)ACD/LogP: 0.78; (2)ACD/LogD (pH 5.5): 0.78; (3)ACD/LogD (pH 7.4): 0.78; (4)ACD/BCF (pH 5.5): 2.29; (5)ACD/BCF (pH 7.4): 2.29; (6)ACD/KOC (pH 5.5): 63; (7)ACD/KOC (pH 7.4): 63; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.441; (12)Molar Refractivity: 38.31 cm3; (13)Molar Volume: 144.8 cm3; (14)Surface Tension: 31.1 dyne/cm; (15)Density: 1.032 g/cm3; (16)Flash Point: 116.1 °C; (17)Enthalpy of Vaporization: 50.64 kJ/mol; (18)Boiling Point: 268.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00775 mmHg at 25°C.

Uses of Acetamide,N-butyl-2-chloro-: it can be used to produce butylcarbamoylmethyl-triphenyl-phosphonium; chloride by heating. This reaction will need reagent KI and solvent toluene with reaction time of 72 hours. The yield is about 76%.

Acetamide,N-butyl-2-chloro- can be used to produce butylcarbamoylmethyl-triphenyl-phosphonium; chloride by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CC1=CC=C(C=C1)CC#N
(2)InChI: InChI=1S/C12H15N/c1-10(2)9-12-5-3-11(4-6-12)7-8-13/h3-6,10H,7,9H2,1-2H3
(3)InChIKey: INYXZKUEDMCFSU-UHFFFAOYSA-N