CAS No.7697-25-8,2-CHLORO-4-METHYLBENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7697-25-8
Name:	2-CHLORO-4-METHYLBENZOIC ACID
Article Data:	10
Cas Database

Formula:	C₈H₇ClO₂
Molecular Weight:	170.595
Synonyms:	p-Toluicacid, 2-chloro- (6CI,7CI,8CI);2-Chloro-4-methylbenzoic acid;2-Chloro-p-toluicacid;
Density:	1.31 g/cm³
Melting Point:	195 °C
Boiling Point:	303.5 °C at 760 mmHg
Flash Point:	137.4 °C
Hazard Symbols:	Xi
PSA:	37.30000
LogP:	2.34660

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Specification

The Benzoicacid, 2-chloro-4-methyl-, with the CAS registry number 7697-25-8, has the systematic name of 2-chloro-4-methylbenzoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₇ClO₂.

The characteristics of Benzoicacid, 2-chloro-4-methyl- are as followings: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.25; (4)ACD/LogD (pH 7.4): -0.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.05; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 42.9 cm³; (15)Molar Volume: 130.1 cm³; (16)Polarizability: 17×10^-24cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.31 g/cm³; (19)Flash Point: 137.4 °C; (20)Enthalpy of Vaporization: 57.43 kJ/mol; (21)Boiling Point: 303.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000407 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1Cl)C
(2)InChI: InChI=1/C8H7ClO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
(3)InChIKey: MYJUBDJLKREUGU-UHFFFAOYAH