CAS No.50-74-8,2,3,4,5-Tetrachlorobenzoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50-74-8
Name:	2,3,4,5-Tetrachlorobenzoic acid
Article Data:	12

Formula:	C₇H₂Cl₄O₂
Molecular Weight:	259.904
Synonyms:	BRN 1968627;
EINECS:	672-589-8
Density:	1.735 g/cm³
Melting Point:	195 °C
Boiling Point:	362.9 °C at 760 mmHg
Flash Point:	173.3 °C
PSA:	37.30000
LogP:	3.99840

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Specification

The Benzoic acid,2,3,4,5-tetrachloro-, with the CAS registry number 50-74-8, has the systematic name and IUPAC name of 2,3,4,5-tetrachlorobenzoic acid. It belongs to the product category of Organic acids. And the molecular formula of the chemical is C₇H₂Cl₄O₂. What's more, it is usually used in biochemical and medicine research.

The characteristics of Benzoic acid,2,3,4,5-tetrachloro- are as followings: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 1.15; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.26; (8)ACD/KOC (pH 7.4): 4.11; (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: 1.622; (14)Molar Refractivity: 52.76 cm³; (15)Molar Volume: 149.7 cm³; (16)Polarizability: 20.91×10^-24cm³; (17)Surface Tension: 57.7 dyne/cm; (18)Density: 1.735 g/cm³; (19)Flash Point: 173.3 °C; (20)Enthalpy of Vaporization: 64.25 kJ/mol; (21)Boiling Point: 362.9 °C at 760 mmHg; (22)Vapour Pressure: 6.65E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1c(cc(Cl)c(Cl)c1Cl)C(=O)O
(2)InChI: InChI=1/C7H2Cl4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)
(3)InChIKey: FUXMTEKFGUWSNC-UHFFFAOYAC

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	562mg/kg (562mg/kg)	BEHAVIORAL: REGIDITY BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968.