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Benzoic acid, 2-amino-3,4,5,6-tetrachloro-

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Name

Benzoic acid, 2-amino-3,4,5,6-tetrachloro-

EINECS N/A
CAS No. 6923-69-9 Density 1.808 g/cm3
PSA 63.32000 LogP 4.16180
Solubility N/A Melting Point N/A
Formula C7H3Cl4NO2 Boiling Point 404.6 °C at 760 mmHg
Molecular Weight 274.918 Flash Point 198.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6923-69-9 (Benzoic acid, 2-amino-3,4,5,6-tetrachloro-) Hazard Symbols N/A
Synonyms

2-Amino-3,4,5,6-tetrachlorobenzoic acid;

Article Data 1

Benzoic acid, 2-amino-3,4,5,6-tetrachloro- Specification

The Benzoic acid, 2-amino-3,4,5,6-tetrachloro- has the CAS registry number 6923-69-9. This chemical's molecular formula is C7H3Cl4NO2 and molecular weight is 274.92. What's more, its systematic name is 2-amino-3,4,5,6-tetrachlorobenzoic acid.

Physical properties of Benzoic acid, 2-amino-3,4,5,6-tetrachloro- are: (1)ACD/LogP: 4.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 5.35; (6)ACD/BCF (pH 7.4): 2.13; (7)ACD/KOC (pH 5.5): 19.22; (8)ACD/KOC (pH 7.4): 7.65; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 56.99 cm3; (15)Molar Volume: 152 cm3; (16)Polarizability: 22.59×10-24cm3; (17)Surface Tension: 69.3 dyne/cm; (18)Density: 1.808 g/cm3; (19)Flash Point: 198.5 °C; (20)Enthalpy of Vaporization: 69.18 kJ/mol; (21)Boiling Point: 404.6 °C at 760 mmHg; (22)Vapour Pressure: 2.84E-07 mmHg at 25°C.

Uses of Benzoic acid, 2-amino-3,4,5,6-tetrachloro-: it can be used to produce 1,2,3,4-Tetrachlor-9-tert-butyl-triptycen by heating. It will need reagent isopentyl nitrite and solvents CH2Cl2, acetonewith the reaction time of 30 min. The yield is about 36%.

Benzoic acid, 2-amino-3,4,5,6-tetrachloro- can be used to produce 1,2,3,4-Tetrachlor-9-tert-butyl-triptycen by heating

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(c(Cl)c(Cl)c1Cl)N)C(=O)O
(2)InChI: InChI=1S/C7H3Cl4NO2/c8-2-1(7(13)14)6(12)5(11)4(10)3(2)9/h12H2,(H,13,14)
(3)InChIKey: CJKYKXAESHUOOV-UHFFFAOYSA-N

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