Basic information
- CAS
14548-48-2- Standard SMILES
O=C(c1ccncc1)c1ccc(Cl)cc1- InChIKey
YMTFKKLFLLAFNI-UHFFFAOYSA-N- Molecular formula
- C12H8ClNO
- Average molar mass
- 217.65 g/mol
- Monoisotopic mass
- 217.0294416
Names & identifiers
- Preferred name
- 4-(4'-Chlorobenzoyl)pyridine
- IUPAC
- (4-chlorophenyl)-pyridin-4-ylmethanone
- English name
- 4-(4-Chlorobenzoyl)pyridine
- Molecular formula
- C12H8ClNO
- Molecular weight
- 217.65
Names & synonyms
4-(4-Chlorobenzoyl)pyridine14548-48-24-(4'-Chlorobenzoyl)pyridineEINECS 238-587-2DTXSID30163056NSC 76045RefChem:513423DTXCID4085547238-587-2(4-chlorophenyl)(pyridin-4-yl)methanoneMethanone, (4-chlorophenyl)-4-pyridinyl-(4-chlorophenyl)-pyridin-4-ylmethanone
Show more names
AKOS 94069LABOTEST-BB LT00452578Dexchlorpheniramine Impurity 54-(P-CHLOROBENZOYL)-PYRIDINE 99%4-(4-CHLOROBENZOYL)PYRIDINE 97%4-(p-Chlorobenzoyl)-pyridine, 99%4-(4-Chlorobenzoyl)pyridine, 99+%4-(4-chlorobenzeneformyl)pyridine
MFCD00006431NSC-76045(4-chlorophenyl)-(4-pyridyl)methanone4-chlorophenyl 4-pyridyl ketoneNSC76045Q85WG3ST7A4-(4-chloro-benzoyl)pyridineSCHEMBL1156055
Database identifiers
- CAS
14548-48-2- PubChem CID
- 98503
- DTXSID
DTXSID30163056- ChEMBL
CHEMBL1671946- UNII
- Q85WG3ST7A
- EC Number
- 238-587-2
- Nikkaji
- J241.303E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
LogP2.61
Physicochemical properties
- Melting point
- 108 · 108-110 °C(lit.)
- Density
- 1.2081 · 1.2081 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- CAS DataBase Reference
- 14548 · 14548-48-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- HS Code
- 29333999 · 29333999
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29333999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-(4-Chlorobenzoyl)pyridine is used as pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers24 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海挺宠生物科技有限公司13124879703 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
Related reactions
5 records
Compound notes
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