CAS No.14161-84-3,2-(3-CHLOROPHENYL)PROPIONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14161-84-3
Name:	2-(3-CHLOROPHENYL)PROPIONIC ACID
Article Data:	19

Formula:	C₉H₉ClO₂
Molecular Weight:	184.622
Synonyms:	Hydratropicacid, m-chloro- (6CI,8CI);3-Chloro-a-methylbenzeneacetic acid;2-m-Chlorophenylpropionic acid;
Density:	1.264 g/cm³
Boiling Point:	286.567 °C at 760 mmHg
Flash Point:	127.111 °C
Hazard Symbols:	T
Risk Codes:	25
Safety:	45
PSA:	37.30000
LogP:	2.52810

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Specification

The Benzeneacetic acid, 3-chloro-a-methyl-, with the CAS registry number 14161-84-3, is also known as 2-m-Chlorophenylpropionic acid. This chemical's molecular formula is C₉H₉ClO₂ and molecular weight is 184.62. What's more, its systematic name is 2-(3-Chlorophenyl)propanoic acid.

Physical properties about Benzeneacetic acid, 3-chloro-a-methyl- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 2; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 23; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 37.3 Å²; (11)Index of Refraction: 1.555; (12)Molar Refractivity: 46.897 cm³; (13)Molar Volume: 146.082 cm³; (14)Polarizability: 18.592×10^-24 cm³; (15)Surface Tension: 45.778 dyne/cm; (16)Density: 1.264 g/cm³; (17)Flash Point: 127.111 °C; (18)Enthalpy of Vaporization: 55.521 kJ/mol; (19)Boiling Point: 286.567 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(c1cc(Cl)ccc1)C(O)=O
(2) InChI: InChI=1/C9H9ClO2/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3,(H,11,12)
(3) InChIKey: YRUBJDXEYFCYCX-UHFFFAOYAA