Products Categories
| CAS No.: | 1012-84-6 |
|---|---|
| Name: | PENTACHLOROBENZOIC ACID |
| Molecular Structure: | |
|
|
|
| Formula: | C7HCl5O2 |
| Molecular Weight: | 294.349 |
| Synonyms: | 2,3,4,5,6-Pentachlorobenzoic acid;Perchlorobenzoic acid; |
| Density: | 1.82 g/cm3 |
| Melting Point: | 209.3°C |
| Boiling Point: | 379.1 °C at 760 mmHg |
| Flash Point: | 183 °C |
| PSA: | 37.30000 |
| LogP: | 4.65180 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
- Total:21 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The Benzoic acid, 2, 3, 4, 5, 6-pentachloro-, with the CAS registry number 1012-84-6, is also known as Pentachlorobenzoic acid. This chemical's molecular formula is C7HCl5O2 and molecular weight is 294.35. What's more, its IUPAC name is 2, 3, 4, 5, 6-Pentachlorobenzoic acid. In addition, this chemical's classification code is Drug / Therapeutic Agent.
Physical properties about Benzoic acid, 2, 3, 4, 5, 6-pentachloro- are: (1)ACD/LogP: 4.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.01; (8)ACD/KOC (pH 7.4): 3.95; (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: 1.631; (14)Molar Refractivity: 57.65 cm3; (15)Molar Volume: 161.7 cm3; (16)Polarizability: 22.85×10-24 cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.82 g/cm3; (19)Flash Point: 183 °C; (20)Enthalpy of Vaporization: 66.14 kJ/mol; (21)Boiling Point: 379.1 °C at 760 mmHg; (22)Vapour Pressure: 2.02E-06 mmHg at 25 °C.
Preparation of Benzoic acid, 2, 3, 4, 5, 6-pentachloro-: this chemical is prepared by αH,αH-hexachloroacetophenone. The reaction needs reagent 20 % Oleum. The reaction time is 1 hour with reaction temperature of 100 °C. The yield is about 85 %.
Uses of Benzoic acid, 2, 3, 4, 5, 6-pentachloro-: it is used to produce other chemicals. For example, it is used to produce Pentachloro-benzoyl chloride. The reaction needs reagent SOCl2. The reaction time is 48 hours. The yield is about 61 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)C(=O)O
(2) InChI: InChI=1/C7HCl5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
(3) InChIKey: IONYGGJUUJFXJK-UHFFFAOYAH
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 178mg/kg (178mg/kg) | BEHAVIORAL: REGIDITY BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968. |