(4-Methoxyphenyl)-2-thienylmethanone
Basic information
- CAS
4160-63-8- Standard SMILES
COc1ccc(C(=O)c2cccs2)cc1- InChIKey
KYVBFEMQEUXVQB-UHFFFAOYSA-N- Molecular formula
- C12H10O2S
- Average molar mass
- 218.27 g/mol
- Monoisotopic mass
- 218.04015073
Names & identifiers
- Preferred name
- (4-Methoxyphenyl)-2-thienylmethanone
- IUPAC
- (4-methoxyphenyl)-thiophen-2-ylmethanone
- English name
- 2-(4-Methoxybenzoyl)thiophene
- Molecular formula
- C12H10O2S
- Molecular weight
- 218.27
Names & synonyms
4160-63-8p-Anisyl thiophen-2-yl ketoneDTXSID70194425(4-Methoxyphenyl)-2-thienylmethanoneRefChem:1050432DTXCID80116916223-997-62-(4-Methoxybenzoyl)thiophene(4-methoxyphenyl)(thiophen-2-yl)methanone(4-methoxyphenyl)-thiophen-2-ylmethanone2-(p-Methoxybenzoyl)thiophene4-methoxyphenyl 2-thienyl ketone
Show more names
2-(4-METHOXYBENZOYL)2-(4-Methoxybenzoyl)thiophene>4-Methoxyphenyl 2-thienyl ketone4-Methoxyphenyl(2-thienyl) ketone2-(4-Methoxybenzoyl)thiophene-97%2-(4-Methoxybenzoyl)thiophene ,99%2-(4-METHOXYBENZOYL)THIOPHENE 97%
MFCD00005440methanone, (4-methoxyphenyl)-2-thienyl-EINECS 223-997-6(4-methoxyphenyl)(2-thienyl)methanoneNSC-151248CHEMBL583291NSC151248(4-methoxyphenyl)-(2-thienyl)methanone
Database identifiers
- CAS
4160-63-8- PubChem CID
- 77812
- DTXSID
DTXSID70194425- ChEMBL
CHEMBL583291- UNII
- 4QQ887QUG7
- EC Number
- 223-997-6
- Nikkaji
- J224.960J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 74 · 74-75 °C(lit.)
- Boiling point
- 328.96 °C · 328.96°C (rough estimate)
- Density
- 1.2618 · 1.2618 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Gray to Brown
- BRN
- 148560 · 148560
- FDA UNII
- 4 QQ887QUG7 · 4QQ887QUG7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- HS Code
- 29349990 · 29349990
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
- wgk
- 3
- hs_code
- 29349990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
6 records
Compound notes
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