CAS 6636-06-2 5-Phenyl-1H-pyrrole-2-carboxylic acid (HCID 226199)

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Basic information

CAS: 6636-06-2
Standard SMILES: O=C(O)c1ccc(-c2ccccc2)[nH]1
InChIKey: YEQVNAGNEONSTR-UHFFFAOYSA-N
Molecular formula: C11H9NO2
Average molar mass: 187.198 g/mol
Monoisotopic mass: 187.06332853

Names & identifiers

Preferred name: 5-Phenyl-1H-pyrrole-2-carboxylic acid
IUPAC: 5-Phenyl-1H-pyrrole-2-carboxylic acid
English name: 5-PHENYL-1H-PYRROLE-2-CARBOXYLIC ACID
Molecular formula: C11H9NO2
Molecular weight: 187.19

Names & synonyms

TIMTEC-BB SBB0002625-Phenylpyrrole-2-carboxylic Acid5-PHENYL-1H-PYRROLE-2-CARBOXYLIC ACID5-Phenyl-1H-pyrrole-2-carboxilyc acid1H-Pyrrole-2-carboxylic acid, 5-phenyl-

Database identifiers

CAS: 6636-06-2
PubChem CID: 226199
DTXSID: DTXSID20984994
ChEMBL: CHEMBL1526424
EC Number: 819-901-2
Nikkaji: J519.346J

Properties

Physicochemical properties

Melting point: 206 · 206-208 °C (decomp)
Boiling point: 452.3 · 452.3±33.0 °C(Predicted)
Density: 1.285 · 1.285±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 4.45 · 4.45±0.10(Predicted)
Appearance: Off-white to pale purple Solid
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H290
Precautionary statements: 501 · P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
HazardClass: IRRITANT

Safety & regulation

Safety data

risk_code: 22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi,Xn
hazard_class: IRRITANT
Hazard statements: H314-H290
Precautionary statements: P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405