2-Phenylnicotinic acid

HCID 97489
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Substructure searchFind similar structures

Basic information

CAS
33421-39-5
Standard SMILES
O=C(O)c1cccnc1-c1ccccc1
InChIKey
VLQVAEFYIADOKI-UHFFFAOYSA-N
Molecular formula
C12H9NO2
Average molar mass
199.2 g/mol
Monoisotopic mass
199.06332853

Names & identifiers

Preferred name
2-Phenylnicotinic acid
IUPAC
2-phenylpyridine-3-carboxylic acid
English name
2-PHENYLNICOTINIC ACID
Molecular formula
C12H9NO2
Molecular weight
199.21

Names & synonyms

2-Phenylnicotinic acidEINECS 251-510-7DTXSID80187060NSC 127178RefChem:478198DTXCID90109551251-510-733421-39-52-phenylpyridine-3-carboxylic acid2-Phenyl-3-pyridinecarboxylic acid2-PhenylnicotinicAcidMFCD03069417
Show more names
2-Phenylnicotinsure N2-Phenylpyridine-3-carboxylic acid, 3-Carboxy-2-phenylpyridine
3-Pyridinecarboxylic acid, 2-phenyl-2-Phenyl-nicotinic acid2-Phenylnicotinsure NSCHEMBL912675CHEMBL5440934SCHEMBL315860132-phenylpyridine-3-carboxylicaci2-Phenylpyridin-3ylcarboxylic acid

Database identifiers

CAS
33421-39-5
PubChem CID
97489
DTXSID
DTXSID80187060
ChEMBL
CHEMBL5440934
EC Number
251-510-7
Nikkaji
J308.484A

Properties

Computed structural properties

XLogP
2
Topological polar surface area
50.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Melting point
169 °C · 169 °C
Boiling point
357.3 · 357.3±22.0 °C(Predicted)
Density
1.241 · 1.241±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
solubility
Acetonitrile (Slightly), DMSO (Slightly), Methanol (Sparingly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Safety data

hs_code
2933399990
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H302-H315-H319-H335

Chemistry & industry

Suppliers82 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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