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Basic information
- CAS
135-00-2- Standard SMILES
O=C(c1ccccc1)c1cccs1- InChIKey
DWYFUJJWTRPARQ-UHFFFAOYSA-N- Molecular formula
- C11H8OS
- Average molar mass
- 188.25 g/mol
- Monoisotopic mass
- 188.02958588
Names & identifiers
- Preferred name
- 2-Benzoylthiophene
- IUPAC
- phenyl(thiophen-2-yl)methanone
- English name
- 2-Benzoylthiophene
- Molecular formula
- C11H8OS
- Molecular weight
- 188.25
Names & synonyms
2-Benzoylthiophene135-00-2Phenyl 2-thienyl ketoneMethanone, phenyl-2-thienyl-NSC-4502SNH4BEC6FMDTXSID30159191RefChem:1062382DTXCID0081682205-169-6phenyl(thiophen-2-yl)methanonePhenyl(2-thienyl)methanone
Show more names
AKOS B0204732-Benzoylthiophene >2-BENZOYLTHIOPHENE 98%2-Benzoylthiophene,98%alpha-Benzoylthiophene
Ketone, phenyl 2-thienylMFCD00022495phenyl-thiophen-2-yl-methanone2-Thienyl phenyl ketone.alpha.-BenzoylthiopheneEINECS 205-169-6MLS000682816CHEMBL567059
Database identifiers
- CAS
135-00-2- PubChem CID
- 67262
- DTXSID
DTXSID30159191- ChEMBL
CHEMBL567059- UNII
- SNH4BEC6FM
- EC Number
- 205-169-6
- Nikkaji
- J79.455D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 56 · 56-58 °C (lit.)
- Boiling point
- 300 °C · 300 °C (lit.)
- Density
- 1.2061 · 1.2061 (rough estimate)
- refractive index
- 1.6181 · 1.6181 (estimate)
- Flash point
- 124 · 124-126°C/0.5mm
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- color
- Light yellow to Amber to Dark green
- BRN
- 3929 · 3929
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
- InChIKey
- DWYFUJJWTRPARQ-UHFFFAOYSA-N
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29349990
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
6 records
Compound notes
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