Name: 2-amino-3,4,5,6-tetrachlorobenzoic acid
SKU: 6923-69-9

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Basic Information

Molecular Structure:
CAS No.:	6923-69-9
Name:	2-amino-3,4,5,6-tetrachlorobenzoic acid
Article Data:	1

Formula:	C₇H₃Cl₄NO₂
Molecular Weight:	274.918
Synonyms:	2-Amino-3,4,5,6-tetrachlorobenzoic acid;
Density:	1.808 g/cm³
Boiling Point:	404.6 °C at 760 mmHg
Flash Point:	198.5 °C
PSA:	63.32000
LogP:	4.16180

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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