CAS No.80336-66-9,2-CHLORO-1-(4-ISOBUTYLPHENYL)PROPAN-1-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	80336-66-9
Name:	2-CHLORO-1-(4-ISOBUTYLPHENYL)PROPAN-1-ONE
Article Data:	5

Formula:	C₁₃H₁₇ClO
Molecular Weight:	224.73
Synonyms:	1-Chloroethyl4-isobutylphenyl ketone;2-Chloro-1-[4-(2-methylpropyl)phenyl]-1-propanone;2-Chloro-p-isobutylpropiophenone;a-Chloro-p-isobutylpropiophenone;
Density:	1.043g/cm³
Melting Point:	52 °C
Boiling Point:	319.1 °C at 760 mmHg
Flash Point:	187.2 °C
PSA:	17.07000
LogP:	3.69510

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Specification

The 2-Chloro-1-(4-isobutylphenyl)propan-1-one ,its cas register number is 80336-66-9.It also can be called as 1-Propanone,2-chloro-1-[4-(2-methylpropyl)phenyl]- and the Systematic name about this chemicals is 2-Chloro-1-[4-(2-methylpropyl)phenyl]propan-1-one .It belongs to the Acetylhalide. If you want to store this chemicals, please keep containers tightly sealed, and store in cool, dry place in tighely closed containers, also ensure good ventilation/exhaustion at the workplace.Follow are some measures about first aid, after inhalation, sopply fresh air, if required,provide artificial respiration and keep patient warm.After skin contact, seek immediate medical advice and instantly wash with water, soap and rinse thoroughly.

Following are the chemical properties about 2-Chloro-1-(4-isobutylphenyl)propan-1-one :(1)#H bond acceptors: 1 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 4 ; (4)Polar Surface Area: 17.07Å² ; (5)Index of Refraction: 1.51 ; (6)Molar Refractivity: 64.49 cm³ ; (7)Molar Volume: 215.4 cm³; (8)Surface Tension: 34.3 dyne/cm; (9)Enthalpy of Vaporization: 56.07 kJ/mol ; (10)Vapour Pressure: 0.000346 mmHg at 25°C

This chemicals can be described computed from structure:
(1)SMILES: ClC(C(=O)c1ccc(cc1)CC(C)C)C
(2)InChI: InChI=1/C13H17ClO/c1-9(2)8-11-4-6-12(7-5-11)13(15)10(3)14/h4-7,9-10H,8H2,1-3H3
(3)InChIKey: GIHSMBINQBEFLD-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H17ClO/c1-9(2)8-11-4-6-12(7-5-11)13(15)10(3)14/h4-7,9-10H,8H2,1-3H3
(5)Std. InChIKey: GIHSMBINQBEFLD-UHFFFAOYSA-N