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37908-90-0

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Basic Information
CAS No.: 37908-90-0
Name: 3,5-BIS-CHLOROMETHYL-4-METHYL-BENZOIC ACID
Article Data: 1
Molecular Structure:
Molecular Structure of 37908-90-0 (3,5-BIS-CHLOROMETHYL-4-METHYL-BENZOIC ACID)
Formula: C10H10Cl2O2
Molecular Weight: 233.094
Synonyms: p-Toluicacid, 3,5-bis(chloromethyl)-;
Density: 1.342 g/cm3
Boiling Point: 412.2 °C at 760 mmHg
Flash Point: 203.1 °C
PSA: 37.30000
LogP: 3.17080
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Specification

The Benzoic acid,3,5-bis(chloromethyl)-4-methyl-, with CAS registry number 37908-90-0, has the systematic name of 3,5-bis(chloromethyl)-4-methylbenzoic acid. And the chemical formula of this chemical is C10H10Cl2O2. Its molecular weight is 233.0912.

Physical properties of Benzoic acid,3,5-bis(chloromethyl)-4-methyl-: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 4.05; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 38.9; (8)ACD/KOC (pH 7.4): 1.13; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 57.53 cm3; (15)Molar Volume: 173.6 cm3; (16)Polarizability: 22.81×10-24cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.342 g/cm3; (19)Flash Point: 203.1 °C; (20)Enthalpy of Vaporization: 70.1 kJ/mol; (21)Boiling Point: 412.2 °C at 760 mmHg; (22)Vapour Pressure: 1.55E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1cc(cc(c1C)CCl)C(=O)O
(2)InChI: InChI=1/C10H10Cl2O2/c1-6-8(4-11)2-7(10(13)14)3-9(6)5-12/h2-3H,4-5H2,1H3,(H,13,14)
(3)InChIKey: JTSSWUSQLDYRTB-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H10Cl2O2/c1-6-8(4-11)2-7(10(13)14)3-9(6)5-12/h2-3H,4-5H2,1H3,(H,13,14)
(5)Std. InChIKey: JTSSWUSQLDYRTB-UHFFFAOYSA-N