1,2,3,4-tetrachlorobenzene

• ChemBase ID: 106913
• Molecular Formular: C6H2Cl4
• Molecular Mass: 215.89208
• Monoisotopic Mass: 213.89106078
• SMILES: Clc1ccc(Cl)c(Cl)c1Cl
• Canonical SMILES: Clc1c(Cl)ccc(c1Cl)Cl
• InChI: InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
• InChIKey: GBDZXPJXOMHESU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrachlorobenzene
• IUPAC Traditional name: 1,2,3,4-tetrachlorobenzene
• Synonyms: 1,2,3,4-Tetrachlorobenzene; 1,2,3,4-TETRACHLOROBENZENE; 1,2,3,4-Tetrachlorobenzene solution; 1,2,3,4-四氯苯; 1,2,3,4-四氯苯 溶液

Database IDs

• CAS Number: 634-66-2
• EC Number: 200-659-6; 211-214-0
• MDL Number: MFCD00000538
• Beilstein Number: 1910025
• PubChem SID: 162089097; 24871768; 24869654; 24867738; 24869505; 24858172; 24848037
• PubChem CID: 12463

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3894243
• LogD (pH = 7.4): 4.3894243
• Log P: 4.3894243
• Molar Refractivity: 45.2772 cm^3
• Polarizability: 18.063013 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42-47 °C(lit.); 47.5°C
• Boiling Point: 254 °C/761 mmHg(lit.); 254°C
• Flash Point: 11 °C; 113 °C; 235.4 °F; 51.8 °F
• Density: 1.7 g/ml

Safety Information

• RTECS: DB9440000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Toxic (T); Harmful (Xn)
• UN Number: 1230
• German water hazard class: 1; 2; 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-39/23/24/25; 22; R:22-58
• Safety Statements: 22-24/25; 7-16-36/37-45; S:36/37/39-61
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H225-H301-H311-H331-H370; H301-H311-H331-H370; H302-H410
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311; P260-P280-P301 + P310-P311; P273-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1230 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 90%; 95+%; 98%
• Concentration: 100 ng/μL in methanol; 2000 μg/mL in methanol
• Grade: analytical standard; PESTANAL®, analytical standard; technical grade
• Packaging: ampule of 1 mL; ampule of 500 mg
• Feature: standard type calibration
• Empirical Formula (Hill Notation): C6H2Cl4

DETAILS

MP Biomedicals - 05201870

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 131849

Packaging
1, 10 g in glass bottle

Sigma Aldrich - 301205

Packaging
250 g in glass bottle

Sigma Aldrich - 45905

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 46014

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH