2-Chloro-3-hexylthiophene
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Basic information
- CAS
817181-75-2- Standard SMILES
CCCCCCc1ccsc1Cl- InChIKey
BSWSVVYUCAKNDK-UHFFFAOYSA-N- Molecular formula
- C10H15ClS
- Average molar mass
- 202.74 g/mol
- Monoisotopic mass
- 202.0582993
Names & identifiers
- Preferred name
- 2-Chloro-3-hexylthiophene
- IUPAC
- 2-chloro-3-hexylthiophene
- English name
- 2-Chloro-3-hexylthiophene
- Molecular formula
- C10H15ClS
- Molecular weight
- 202.74
Names & synonyms
2-Chloro-3-hexylthiophene817181-75-2DTXSID10719954RefChem:258541DTXCID30670699MFCD184137382-chloro-3-hexyl-thiopheneSCHEMBL16454503SY054557F827937Thiophene, 2-chloro-3-hexyl-2-Chloro-3-hexylthiophene >
Database identifiers
- CAS
817181-75-2- PubChem CID
- 56973699
- DTXSID
DTXSID10719954- Nikkaji
- J3.164.224H
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 60 °C/0.2mmHg · 60°C/0.2mmHg(lit.)
- refractive index
- 1.509 · 1.5090-1.5130
- storage temp.
- 0 · 0-10°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- CAS DataBase Reference
- 817181 · 817181-75-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2934.99 · 2934.99.4400
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
- hs_code
- 2934.99.4400
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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