2-Benzoylpyridine

HCID 7038CAS 91-02-1
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(c1ccccc1)c1ccccn1
InChIKey
GCSHUYKULREZSJ-UHFFFAOYSA-N
Molecular formula
C12H9NO
Average molar mass
183.21 g/mol
Monoisotopic mass
183.06841391

Names & identifiers

Preferred name
2-Benzoylpyridine
IUPAC
phenyl(pyridin-2-yl)methanone
English name
2-Benzoylpyridine
Molecular formula
C12H9NO
Molecular weight
183.21

Names & synonyms

2-Benzoylpyridine91-02-1Methanone, phenyl-2-pyridinyl-2-Pyridyl phenyl ketoneIZ1TTI0X5ONSC-20887DTXSID7059016BzPyRefChem:465609DTXCID1048708202-034-3phenyl(pyridin-2-yl)methanone
Show more names
2-BenzoyLAKOS 94378AKOS B0224442-benzoyl-pyridinDoxylamine Impurity
Phenyl 2-pyridyl ketonePyridine, 2-benzoyl-MFCD00006300Methanone, phenylpyridinyl-KETONE, PHENYL 2-PYRIDYLDoxylamine EP Impurity Dphenyl(2-pyridyl)methanonebenzoylpyridine

Database identifiers

CAS
91-02-1
PubChem CID
7038
DTXSID
DTXSID7059016
ChEMBL
CHEMBL1328115
UNII
IZ1TTI0X5O
EC Number
202-034-3
Nikkaji
J41.577D

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
30 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.96
Vapor Pressure0.000367 [mmHg]
Physical DescriptionOff-white crystalline chunks; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
41 · 41-43 °C (lit.)
Boiling point
317 °C · 317 °C (lit.)
Density
1 · 1,556 g/cm3
refractive index
1.588 · 1.5880 (estimate)
Flash point
302 °F · 302 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2% (1 of 50) of reports.

Warning

H315 (96%): 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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 07-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26534

Methanone, phenyl-2-pyridinyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 475 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Benzophenone.
Hazard Classes and CategoriesSkin Irrit. 2 (96%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
OB6400000
hs_code
29333999
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationMethanone, phenyl-2-pyridinyl-: ACTIVE
Applications · 2 items

UsesOrganic synthesis.

Uses2-Benzoylpyridine is used as a reagent to assist crosslinking in acrylic coating compounds in the polymers industry. 2-Benzoylpyridine is also a precursor for thioemicarbazone compounds that exhibit high cytotoxic activity against human leukemia cell lines and also posesses some antiinflammatory qualities.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]

Related reactions

7 records
New reaction record

Linked notes

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