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Butanamide,4-bromo-3-oxo-N-phenyl- (1205-74-9)

Identification
Name:Butanamide,4-bromo-3-oxo-N-phenyl-
Synonyms:Acetoacetanilide,4-bromo- (7CI,8CI); 4-Bromo-3-oxo-N-phenylbutanamide;4-Bromo-3-oxobutyranilide; 4-Bromoacetoacetanilide; NSC 108424; g-Bromoacetoacetanilide; w-Bromoacetoacetanilide
CAS:1205-74-9
Molecular Formula: C10H10BrNO2
Molecular Weight: 256.0959
InChI: InChI=1/C10H10BrNO2/c11-7-9(13)6-10(14)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)
Molecular Structure: (C10H10BrNO2) Acetoacetanilide,4-bromo- (7CI,8CI); 4-Bromo-3-oxo-N-phenylbutanamide;4-Bromo-3-oxobutyranilide; 4-B...
Properties
Flash Point: 218.3°C
Boiling Point: 437.3°C at 760 mmHg
Density:1.544g/cm3
Refractive index:1.61
Specification:

The 4-Bromo-3-oxo-N-phenylbutanamide with the CAS number 1205-74-9 is also called Butanamide,4-bromo-3-oxo-N-phenyl-. Its molecular formula is C10H10BrNO2. The product category is Aromatic amine products. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 4-Bromo-3-oxo-N-phenylbutanamide are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.75; (6)ACD/BCF (pH 7.4): 16.39; (7)ACD/KOC (pH 5.5): 261.69; (8)ACD/KOC (pH 7.4): 256.09; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 57.55 cm3; (15)Molar Volume: 165.8 cm3; (16)Polarizability: 22.81×10-24cm3; (17)Surface Tension: 53.1 dyne/cm; (18)Enthalpy of Vaporization: 69.39 kJ/mol; (19)Vapour Pressure: 7.55×10-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1)CC(=O)CBr
(2)InChI: InChI=1/C10H10BrNO2/c11-7-9(13)6-10(14)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)
(3)InChIKey: RJTROOIXLNVHNB-UHFFFAOYAK

Flash Point: 218.3°C
Safety Data