Basic information
- CAS
13570-08-6- Standard SMILES
O=C(O)Cc1nc2ccccc2[nH]1- InChIKey
GFTPLFVZKMIYAP-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 1H-Benzimidazole-2-acetic acid
- IUPAC
- 2-(1H-benzimidazol-2-yl)acetic acid
- English name
- (1H-Benzoimidazol-2-yl)-acetic acid
- Molecular formula
- C9H8N2O2
- Molecular weight
- 176.17
Names & synonyms
13570-08-61H-Benzimidazole-2-acetic acid2-BENZIMIDAZOLEACETIC ACIDAcetic acid, 2-benzimidazol-2-yl-2-(Carboxymethyl)benzimidazoleNSC 525202BRN 01534841H-Benzimidazole-2-acetic acid (9CI)DTXSID701594985-25-04-00285 (Beilstein Handbook Reference)2-(1H-Benzo[d][1,3]diazol-2-yl)acetic acide2-(1H-Benzo(d)(1,3)diazol-2-yl)acetic acide
Show more names
AKOS BBS-00002502RARECHEM AK ML 0141IFLAB-BB F1727-0259CHEMBRDG-BB 4400292Benzimidazole-2-acetic acid2-Benzimidazolylacetic acid
RefChem:79687DTXCID4081989GFTPLFVZKMIYAP-UHFFFAOYSA-N(1H-Benzoimidazol-2-yl)-acetic acid2-(1H-Benzo[d]imidazol-2-yl)acetic acid2-(1H-benzimidazol-2-yl)acetic acid1H-Benzimidazol-2-ylacetic acid(1H-Benzoimidazol-2-yl)acetic acid
Database identifiers
- CAS
13570-08-6- PubChem CID
- 26117
- DTXSID
DTXSID70159498- UNII
- DJU8LFP9EA
- EC Number
- 675-221-4
- Nikkaji
- J26.640J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Melting point
- 116 °C · 116 °C
- Boiling point
- 498.3 · 498.3±28.0 °C(Predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.54 · 1.54±0.30(Predicted)
- Appearance
- Light yellow to light brown Solid
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 LFP9EA · DJU8LFP9EA
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 311 · H311+H331-H302
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P361+P364-P301+P312+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (97.4%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H311+H331-H302
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P361+P364-P301+P312+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Chemistry & industry
Applications
Uses(1h-Benzoimidazol-2-yl)-acetic Acid is a useful intermediate for the synthesis of benzisothiazole/benzimidazole derivatives with acidic groups that exhibits numerous pharmacological properties.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers87 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Related reactions
4 records
Compound notes
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