2,3,4-trichlorobenzene-1-sulfonyl chloride

• ChemBase ID: 10368
• Molecular Formular: C6H2Cl4O2S
• Molecular Mass: 279.95588
• Monoisotopic Mass: 277.85296102
• SMILES: c1c(c(c(c(c1)S(=O)(=O)Cl)Cl)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1Cl)Cl)S(=O)(=O)Cl
• InChI: InChI=1S/C6H2Cl4O2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H
• InChIKey: JDAJYNHGBUXIKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4-trichlorobenzene-1-sulfonyl chloride
• IUPAC Traditional name: 2,3,4-trichlorobenzenesulfonyl chloride
• Synonyms: 2,3,4-Trichlorobenzenesulphonyl chloride 98%; 2,3,4-TRICHLORO BENZENE SULFONYL CHLORIDE; 2,3,4-Trichlorobenzenesulfonyl chloride; 2,3,4-trichlorobenzene-1-sulfonyl chloride; 2,3,4-Trichlorophenylsulfonyl chloride; 2,3,4-Trichlorobenzenesulfonyl chloride; 2,3,4-三氯苯基磺酰基氯化物; 2,3,4-三氯苯磺酰氯

Database IDs

• CAS Number: 34732-09-7
• EC Number: 252-174-4
• MDL Number: MFCD00024871
• Beilstein Number: 2649436
• PubChem SID: 160973675; 24884917
• PubChem CID: 36904

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7316828
• LogD (pH = 7.4): 3.7316828
• Log P: 3.7316828
• Molar Refractivity: 54.6666 cm^3
• Polarizability: 22.403238 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61-65°C; 62-66 °C; 63-65°C

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive; Moisture Sensitive; MOISTURE SENSITIVE, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45; 26-28-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C6H2Cl4O2S

DETAILS

MP Biomedicals - 05222742

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 667439

Packaging
5 g in glass bottle