2-Hydroxy-5-(1H-pyrrol-1-yl)benzoic acid

HCID 853752

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Basic information

CAS: 53242-70-9
Standard SMILES: O=C(O)c1cc(-n2cccc2)ccc1O
InChIKey: RJOWHWZRBQBAMZ-UHFFFAOYSA-N
Molecular formula: C11H9NO3
Average molar mass: 203.19 g/mol
Monoisotopic mass: 203.05824315

Names & identifiers

Preferred name: 2-Hydroxy-5-(1H-pyrrol-1-yl)benzoic acid
IUPAC: 2-hydroxy-5-pyrrol-1-ylbenzoic acid
English name: 2-HYDROXY-5-(1 H-PYRROL-1-YL)BENZOIC ACID
Molecular formula: C11H9NO3
Molecular weight: 203.19

Names & synonyms

53242-70-92-Hydroxy-5-(1H-pyrrol-1-yl)benzoic acidDTXSID20357487RefChem:473238DTXCID30308546622-309-52-Hydroxy-5-(1 H-pyrrol-1-yl)benzoic acid2-hydroxy-5-pyrrol-1-ylbenzoic acid2-HYDROXY-5-(1H-PYRROL-1-YL)-BENZOIC ACIDMFCD013212282-hydroxy-5-pyrrol-1-yl-benzoic Acid2-hydroxy-5-(1-pyrrolyl)benzoic acid

Show more names

2-hydroxy-5-(pyrrol-1-yl)benzoic acidBenzoic acid, 2-hydroxy-5-(1H-pyrrol-1-yl)-SCHEMBL1304915-(1-pyrryl) salicylic acidCHEMBL4073702-hydroxy-5-pyrrolylbenzoic acidRJOWHWZRBQBAMZ-UHFFFAOYSA-NGEO-01559

Database identifiers

CAS: 53242-70-9
PubChem CID: 853752
DTXSID: DTXSID20357487
ChEMBL: CHEMBL407370
EC Number: 622-309-5

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 62.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 238

Physicochemical properties

Melting point: 220 °C · 220 °C (dec.)(lit.)
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

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

wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501