3,4-Dichlorothiophene
Basic information
- CAS
17249-76-2- Standard SMILES
Clc1cscc1Cl- InChIKey
QVFXSOFIEKYPOE-UHFFFAOYSA-N- Molecular formula
- C4H2Cl2S
- Average molar mass
- 153.03 g/mol
- Monoisotopic mass
- 151.9254266
Names & identifiers
- Preferred name
- 3,4-Dichlorothiophene
- IUPAC
- 3,4-dichlorothiophene
- English name
- 3,4-Dichlorothiophene
- Molecular formula
- C4H2Cl2S
- Molecular weight
- 153.03
Names & synonyms
3,4-dichlorothiophene17249-76-2Thiophene, 3,4-dichloro-MFCD086956173,4-dichloro-thiopheneSCHEMBL277538SCHEMBL319580SCHEMBL3620424DTXSID40169322SAA24976AKOS000282045AT29555
Show more names
AS-93293SY167405DB-128119EN300-197549F825244Z1198181374
Database identifiers
- CAS
17249-76-2- PubChem CID
- 140205
- DTXSID
DTXSID40169322- EC Number
- 885-950-1
- Nikkaji
- J82.599I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 58.7
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Melting point
- 1 °C · 1°C
- Boiling point
- 185 °C · 185°C
- Density
- 1.487 · 1.487
- refractive index
- 1.5821 · 1.5821
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- liquid
- InChI
- InChI=1S/C4H2Cl2S/c5-3-1-7-2-4(3)6/h1-2H
- InChIKey
- QVFXSOFIEKYPOE-UHFFFAOYSA-N
- SMILES
- C1SC=C(Cl)C=1Cl
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3,4-dichlorothiophene is a useful research chemical.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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