Basic information
- CAS
62246-94-0- Standard SMILES
O=C(c1ccncc1)c1cccc(Cl)c1- InChIKey
JPQDGWGFDQVTFH-UHFFFAOYSA-N- Molecular formula
- C12H8ClNO
- Average molar mass
- 217.65 g/mol
- Monoisotopic mass
- 217.0294416
Names & identifiers
- Preferred name
- (3-Chlorophenyl)(pyridin-4-yl)methanone
- IUPAC
- (3-chlorophenyl)-pyridin-4-ylmethanone
- English name
- AKOS 94039
- Molecular formula
- C12H8ClNO
- Molecular weight
- 217.65
Names & synonyms
(3-CHLOROPHENYL)(PYRIDIN-4-YL)METHANONE62246-94-0DTXSID30316661RefChem:1050098DTXCID70267784(3-chlorophenyl)-pyridin-4-ylmethanone4-(3-chlorobenzoyl)pyridineMFCD08696076NSC305505Methanone, (3-chlorophenyl)-4-pyridinyl-(3-chlorophenyl)-(4-pyridyl)methanoneAKOS 94039
Show more names
(3-Chlorophenyl)-4-pyridinylmethanone(3-chlorophenyl)(pyridin-4-yl)methanone(SALTDATA: FREE)
(3-chlorophenyl)(4-pyridinyl)methanoneSCHEMBL5592041ALBB-013946AKOS000282225NSC-305505LS-04385CS-0326848H30557
Database identifiers
- CAS
62246-94-0- PubChem CID
- 328069
- DTXSID
DTXSID30316661
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
Alfa Chemistry+1-5166625404 · [email protected]
上海金源瑞医药科技有限公司021-18217523 18217523428 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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