-
Name
Chlorthal
- EINECS 256-495-9
- CAS No. 2136-79-0
- Article Data6
- CAS DataBase
- Density 1.872g/cm3
- Solubility
- Melting Point 330 °C (decomp)(Solv: acetic acid (64-19-7))
- Formula C8H2 Cl4 O4
- Boiling Point 425.2 °C at 760 mmHg
- Molecular Weight 303.913
- Flash Point 210.9 °C
- Transport Information
- Appearance white crystal
- Safety
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
C
- Synonyms Terephthalicacid, tetrachloro- (6CI,7CI,8CI); 2,3,5,6-Tetrachloro-1,4-benzenedicarboxylicacid; 2,3,5,6-Tetrachloroterephthalic acid; Chlorthal; NSC 12443;Perchloroterephthalic acid; TCPA; Tetrachloroterephthalic acid
- PSA 74.60000
- LogP 3.69660
Chlorthal Chemical Properties
IUPAC Name: 2,3,5,6-tetrachloroterephthalic acid
Empirical Formula: C8H2Cl4O4
Molecular Weight: 303.9111g/mol
Structure of 1,4-Benzenedicarboxylicacid, 2,3,5,6-tetrachloro- (CAS NO.2136-79-0):
Index of Refraction: 1.656
Molar Refractivity: 59.69 cm3
Molar Volume: 162.2 cm3
Polarizability: 23.66×10-24cm3
Surface Tension: 73.3 dyne/cm
Density: 1.872 g/cm3
Flash Point: 210.9 °C
Enthalpy of Vaporization: 71.66 kJ/mol
Boiling Point: 425.2 °C at 760 mmHg
Vapour Pressure: 5.48E-08 mmHg at 25°C
Product Categories: Organic acids;Carboxylic Acids;Phenyls & Phenyl-Het;Environmental Standards;MetabolitesAlphabetic;Pesticides&Metabolites;TA - TE
Canonical SMILES: C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O
InChI: InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
InChIKey: KZCBXHSWMMIEQU-UHFFFAOYSA-N
Chlorthal Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 10gm/kg (10000mg/kg) | Pesticide Manual. Vol. 9, Pg. 171, 1991. | |
| rat | LD50 | oral | > 3gm/kg (3000mg/kg) | Pesticide Manual. Vol. 9, Pg. 171, 1991. |
Chlorthal Safety Profile
Hazard Codes: 
C
RTECS: CZ4400000
Chlorthal Specification
1,4-Benzenedicarboxylicacid, 2,3,5,6-tetrachloro- , its cas register number is 2136-79-0. It also can be called 2,3,5,6-Tetrachloro-1,4-benzenedicarboxylic acid ; 2,3,5,6-Tetrachloroterephthalic acid ; 3-09-00-04257 (Beilstein Handbook Reference) ; AI3-33410 ; BRN 1887098 ; Caswell No. 833A ; Chlorthal ; Chlorthal (VAN) ; Chlorthal [ISO] ; NSC 12443 ; Perchloroterephthalic acid ; Terephthalic acid, tetrachloro- ; Tetrachloroterephthalic acid .
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