[1,1'-Biphenyl]-4-carboxylicacid, 3',4'-dichloro- supplier

Name
4-(3,4-DICHLOROPHENYL)BENZOIC ACID
EINECS
CAS No. 7111-64-0
Article Data7
CAS DataBase
Density 1.397g/cm³
Solubility
Melting Point 275-277°C
Formula C₁₃H₈Cl₂O₂
Boiling Point 428.3 °C at 760 mmHg
Molecular Weight 267.11
Flash Point 212.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Biphenylcarboxylicacid, 3',4'-dichloro- (7CI,8CI);3',4'-Dichloro[1,1'-biphenyl]-4-carboxylicacid;
PSA 37.30000
LogP 4.35860

[1,1'-Biphenyl]-4-carboxylicacid, 3',4'-dichloro- Specification

The [1,1'-Biphenyl]-4-carboxylicacid, 3',4'-dichloro-, with CAS registry number 7111-64-0, belongs to the following product category: Pharmacetical. It has the systematic name of 3',4'-dichlorobiphenyl-4-carboxylic acid. And the chemical formula of this chemical is C₁₃H₈Cl₂O₂.

Physical properties of [1,1'-Biphenyl]-4-carboxylicacid, 3',4'-dichloro-: (1)ACD/LogP: 4.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 70.95; (6)ACD/BCF (pH 7.4): 2.63; (7)ACD/KOC (pH 5.5): 268.92; (8)ACD/KOC (pH 7.4): 9.96; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 67.56 cm³; (15)Molar Volume: 191.1 cm³; (16)Polarizability: 26.78×10^-24cm³; (17)Surface Tension: 52.4 dyne/cm; (18)Density: 1.397 g/cm³; (19)Flash Point: 212.8 °C; (20)Enthalpy of Vaporization: 72.05 kJ/mol; (21)Boiling Point: 428.3 °C at 760 mmHg; (22)Vapour Pressure: 4.24E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1ccc(C(=O)O)cc1)cc2Cl
(2)InChI: InChI=1/C13H8Cl2O2/c14-11-6-5-10(7-12(11)15)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)
(3)InChIKey: NVYOOVLWXDVFAA-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C13H8Cl2O2/c14-11-6-5-10(7-12(11)15)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)
(5)Std. InChIKey: NVYOOVLWXDVFAA-UHFFFAOYSA-N

Product Name

4-(3,4-DICHLOROPHENYL)BENZOIC ACID

[1,1'-Biphenyl]-4-carboxylicacid, 3',4'-dichloro- Specification

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