2,5-dichlorothiophene

• ChemBase ID: 9393
• Molecular Formular: C4H2Cl2S
• Molecular Mass: 153.02968
• Monoisotopic Mass: 151.92542642
• SMILES: c1cc(sc1Cl)Cl
• Canonical SMILES: Clc1ccc(s1)Cl
• InChI: InChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H
• InChIKey: FGYBDASKYMSNCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichlorothiophene
• IUPAC Traditional name: 2,5-dichlorothiophene
• Synonyms: 2,5-Dichlorothiophene; 2,5-Dichlorothiophene; 2,5-二氯噻吩

Database IDs

• CAS Number: 3172-52-9
• EC Number: 221-638-8
• MDL Number: MFCD00005423
• Beilstein Number: 109887
• PubChem SID: 24894138; 160972700
• PubChem CID: 18501

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2937691
• LogD (pH = 7.4): 3.2937691
• Log P: 3.2937691
• Molar Refractivity: 31.0932 cm^3
• Polarizability: 12.948438 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -41°C
• Boiling Point: 160-162°C; 162 °C(lit.); 162°C
• Flash Point: 138.2 °F; 59 °C; 59°C; 59°C(138°F)
• Density: 1.442; 1.442 g/mL at 25 °C(lit.)
• Refractive Index: 1.562; 1.5620; n20/D 1.562(lit.)

Safety Information

• Storage Warning: FLAMMABLE
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 1993; UN2929
• German water hazard class: 3
• Hazard Class: 3; 6.1
• Packing Group: 3; II
• Risk Statements: 24-28-68
• Safety Statements: 20-27/28-36/37-45
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H226; H300-H310-H226-H341
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P361-P405-P501A
• RID/ADR: UN 1993 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%; 98%
• Empirical Formula (Hill Notation): C4H2Cl2S

DETAILS

MP Biomedicals - 05201955

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D75807

Packaging
25, 100 g in glass bottle