Basic information
- CAS
64362-32-9- Standard SMILES
O=C(c1ccccc1)c1cccnc1C(=O)O- InChIKey
YERHKEWRHQIXFY-UHFFFAOYSA-N- Molecular formula
- C13H9NO3
- Average molar mass
- 227.21 g/mol
- Monoisotopic mass
- 227.05824315
Names & identifiers
- Preferred name
- 3-Benzoylpyridine-2-carboxylic acid
- IUPAC
- 3-benzoylpyridine-2-carboxylic acid
- English name
- 3-BENZOYL-2-PYRIDINECARBOXYLIC ACID
- Molecular formula
- C13H9NO3
- Molecular weight
- 227.22
Names & synonyms
3-Benzoylpyridine-2-carboxylic acidRefChem:497953624-144-43-Benzoylpicolinic acid64362-32-93-Benzoyl-2-pyridinecarboxylic acid3-BenzoylpicolinicacidMFCD002095453-Benzoyl-pyridine-2-carboxylic acidbeta-BenzoylpicolinsaureMaybridge3_000526Oprea1_551417
Show more names
2-Carboxy-3-benzoylpyridine3-benzoylpyridine-2-carboxylicaci2-Pyridinecarboxylic acid, 3-benzoyl-
AC-907/30063051SCHEMBL296670benzoyl-pyridine-carboxylic acidDTXSID40352454YERHKEWRHQIXFY-UHFFFAOYSA-NHMS1432H203-benzoylpyridin-2-carboxylic acidCCG-47095
Database identifiers
- CAS
64362-32-9- PubChem CID
- 726941
- DTXSID
DTXSID40352454- EC Number
- 624-144-4
- Nikkaji
- J1.908.623B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Melting point
- 151 · 151-155 °C(lit.)
- storage temp.
- 2 · 2-8°C
- form
- powder
- InChI
- 1S/C13H9NO3/c15-12(9-5-2-1-3-6-9)10-7-4-8-14-11(10)13(16)17/h1-8H,(H,16,17)
- InChIKey
- YERHKEWRHQIXFY-UHFFFAOYSA-N
- SMILES
- OC(=O)c1ncccc1C(=O)c2ccccc2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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 39 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3-Benzoylpyridine-2-carboxylic acid may be used in the synthesis of 5-methyl-N-aryl substituted-1,3-oxazolidine-2,4-dione derivatives.
General Description3-Benzoylpyridine-2-carboxylic acid is a pyridine derivative. It is a heterocyclic building block used in chemical synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers17 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Related reactions
7 records
Compound notes
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