CAS No.22118-12-3,2-bromobutyryl chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22118-12-3
Name:	2-bromobutyryl chloride
Article Data:	26

Formula:	C₄H₆BrClO
Molecular Weight:	185.448
Synonyms:	Butyrylchloride, 2-bromo- (8CI);2-Bromobutanoyl chloride;2-Bromobutyryl chloride;a-Bromobutyryl chloride;
EINECS:	244-791-2
Density:	1.59 g/cm³
Boiling Point:	151 °C at 760 mmHg
Flash Point:	48.8 °C
PSA:	17.07000
LogP:	1.92530

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Specification

The CAS register number of 2-Bromobutanoyl chloride is 22118-12-3. It also can be called as 2-Bromobutyryl chloride and the IUPAC name about this chemical is 2-bromobutanoyl chloride.

Physical properties about 2-Bromobutanoyl chloride are: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): 2.03; (3)ACD/LogD (pH 7.4): 2.03; (4)ACD/BCF (pH 5.5): 20.67; (5)ACD/BCF (pH 7.4): 20.67; (6)ACD/KOC (pH 5.5): 304.14; (7)ACD/KOC (pH 7.4): 304.14; (8)#H bond acceptors: 1 ; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07Å²; (11)Index of Refraction: 1.48; (12)Molar Refractivity: 33.14 cm³; (13)Molar Volume: 116.6 cm³; (14)Polarizability: 13.14x10^-24cm³; (15)Surface Tension: 35.3 dyne/cm; (16)Enthalpy of Vaporization: 38.79 kJ/mol; (17)Boiling Point: 151 °C at 760 mmHg; (18)Vapour Pressure: 3.74 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-bromo-butyric acid. This reaction will need reagent thionyl chloride and solvent benzene. The reaction time is 2 hour(s) at Heating. The yield is about 79%.

Uses of 2-Bromobutanoyl chloride: it can be used to produce ethylketene at temperature of 0 ℃. This reaction will need reagent PPN(1+)*Mn(CO)₅(1-) and solvent CHCl₃with reaction time of 3 hours. The reaction pressure is 0.1 - 20.00002. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C(Cl)=O)CC
(2)InChI: InChI=1/C4H6BrClO/c1-2-3(5)4(6)7/h3H,2H2,1H3
(3)InChIKey: DROZQELYZZXYSX-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C4H6BrClO/c1-2-3(5)4(6)7/h3H,2H2,1H3
(5)Std. InChIKey: DROZQELYZZXYSX-UHFFFAOYSA-N