2,3-dichlorothiophene

• ChemBase ID: 142239
• Molecular Formular: C4H2Cl2S
• Molecular Mass: 153.02968
• Monoisotopic Mass: 151.92542642
• SMILES: c1csc(c1Cl)Cl
• Canonical SMILES: Clc1sccc1Cl
• InChI: InChI=1S/C4H2Cl2S/c5-3-1-2-7-4(3)6/h1-2H
• InChIKey: LVNVLQIXMBTMPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichlorothiophene
• IUPAC Traditional name: 2,3-dichlorothiophene
• Synonyms: 2,3-Dichlorothiophene; 2,3-Dichlorothiophene; 2,3-二氯噻吩

Database IDs

• CAS Number: 17249-79-5
• EC Number: 000-000-0
• MDL Number: MFCD00043890
• Beilstein Number: 1760
• PubChem SID: 162236469; 24883744
• PubChem CID: 140207

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.127773
• LogD (pH = 7.4): 3.127773
• Log P: 3.127773
• Molar Refractivity: 31.9333 cm^3
• Polarizability: 12.933612 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 173-174 °C/760 mmHg(lit.); 173-174°C
• Flash Point: 158 °F; 70 °C; 70°C(158°F)
• Density: 1.456 g/mL at 25 °C(lit.); 1.470
• Refractive Index: 1.5690; n20/D 1.568(lit.)

Safety Information

• European Hazard Symbols: Toxic (T); X
• UN Number: 2810; UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 20/21/22; 25-43
• Safety Statements: 26-36/37/39-45; 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H318-H334; H331-H302-H312-H227
• GHS Precautionary statements: P210-P261-P302+P352-P321-P405-P501A; P261-P280-P301 + P310-P305 + P351 + P338-P342 + P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C4H2Cl2S

DETAILS

Sigma Aldrich - 650293

Packaging
1, 10 g in glass bottle
Application
Reactant for:
• Synthesis of enediyne-chlorophyll derivatives as antitumor cytotoxic conjugates1
• Selective electrochemical mono- and polysilylation2