Basic information
- CAS
1250836-32-8- Standard SMILES
Cc1ccc(-n2ccnc2)c(C(=O)O)c1- InChIKey
LGYWONXHPYENRN-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
Names & identifiers
- Preferred name
- 2-(1H-imidazol-1-yl)-5-methylbenzoic acid
- IUPAC
- 2-imidazol-1-yl-5-methylbenzoic acid
- English name
- 2-(1H-imidazol-1-yl)-5-methylbenzoic acid
- Molecular formula
- C11H10N2O2
- Molecular weight
- 202.21
Names & synonyms
2-(1H-imidazol-1-yl)-5-methylbenzoic acid1250836-32-8RefChem:451394982-828-02-imidazol-1-yl-5-methylbenzoic acidSCHEMBL15174944LGYWONXHPYENRN-UHFFFAOYSA-NAAC83632AKOS008152637DA-288132-(1H-imidazol-1-yl)-5-methylbenzoicacidCS-0260552
Show more names
Benzoic acid, 2-(1H-imidazol-1-yl)-5-methyl-
EN300-75419Z992339404
Database identifiers
- CAS
1250836-32-8- PubChem CID
- 54592928
- EC Number
- 982-828-0
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 407.6 · 407.6±38.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 3.42 · 3.42±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
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)
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
3 records
Compound notes
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