Basic information
- CAS
159589-67-0- Standard SMILES
O=C(O)c1ccccc1-n1ccnc1- InChIKey
JLUJWVALPVZBOU-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.0585775
Names & identifiers
- Preferred name
- 2-(1H-Imidazol-1-yl)benzoic acid
- IUPAC
- 2-imidazol-1-ylbenzoic acid
- English name
- 2-(1H-IMIDAZOL-1-YL)BENZOIC ACID
- Molecular formula
- C10H8N2O2
- Molecular weight
- 188.18
Names & synonyms
2-(1H-Imidazol-1-yl)benzoic acid159589-67-02-(1-Imidazolyl)benzoic Acid2-imidazol-1-ylbenzoic AcidBenzoic acid, 2-(1H-imidazol-1-yl)-MFCD06254507CHEMBL44465732-(1-Imidazolyl)benzoicAcidSCHEMBL7263132-(1-lmidazolyl)benzoic Acidorb3215538DTXSID60383765
Show more names
2-(1H-Imidazol-1-yl)benzoic acid ,97%
JLUJWVALPVZBOU-UHFFFAOYSA-N1-(2-Carboxyphenyl)-1H-imidazole6-(1H-imidazol-1-yl)benzoic acidBDBM50521384SBB090755AKOS000260661AB93315AC-3032
Database identifiers
- CAS
159589-67-0- PubChem CID
- 2795545
- DTXSID
DTXSID60383765- ChEMBL
CHEMBL4446573- Nikkaji
- J2.187.918E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 198 °C · 198 °C
- Boiling point
- 408.7 · 408.7±28.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder
- pka
- 3.32 · 3.32±0.36(Predicted)
- color
- Light brown
- CAS DataBase Reference
- 159589 · 159589-67-0
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36-36/37/38-22
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Harmful
Safety & regulation
Safety data
- hs_code
- 29339900
- risk_code
- 36-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Harmful
- safety_code
- 26-36/37/39
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
Uses2-(1H-IMIDAZOL-1-YL)BENZOIC ACID is used as a ligand in the synthesis of MOF materials.
Upstream & downstream products
Upstream raw materials
Suppliers63 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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