1,2,3,5-tetrachlorobenzene

• ChemBase ID: 158184
• Molecular Formular: C6H2Cl4
• Molecular Mass: 215.89208
• Monoisotopic Mass: 213.89106078
• SMILES: c1c(cc(c(c1Cl)Cl)Cl)Cl
• Canonical SMILES: Clc1cc(Cl)c(c(c1)Cl)Cl
• InChI: InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
• InChIKey: QZYNWJQFTJXIRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,5-tetrachlorobenzene
• IUPAC Traditional name: 1,2,3,5-tetrachlorobenzene
• Synonyms: 1,2,3,5-Tetrachlorobenzene; 1,2,3,5-Tetrachlorobenzene solution; 1,2,3,5-四氯苯; 1,2,3,5-四氯苯 溶液

Database IDs

• CAS Number: 634-90-2
• EC Number: 200-659-6; 211-217-7
• MDL Number: MFCD00000543
• Beilstein Number: 1618864
• PubChem SID: 162252320; 24862815; 24871767
• PubChem CID: 12468

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: 18.03867 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 11 °C; 113 °C; 235.4 °F; 51.8 °F

Safety Information

• RTECS: DB9445000
• European Hazard Symbols: Flammable (F); 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
• Safety Statements: 22-24/25; 7-16-36/37-45
• 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

• Concentration: 100 ng/μL in methanol; 2000 μg/mL in methanol
• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 1 mL
• Feature: standard type calibration
• Empirical Formula (Hill Notation): C6H2Cl4

DETAILS

Sigma Aldrich - 36928

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

Sigma Aldrich - 45906

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