Basic information
- CAS
1571-87-5- Standard SMILES
O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1- InChIKey
KJXNOHLXULKUIZ-UHFFFAOYSA-N- Molecular formula
- C13H8ClN3O2
- Average molar mass
- 273.67 g/mol
- Monoisotopic mass
- 273.0305042
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-5-nitrobenzimidazole
- IUPAC
- 2-(4-chlorophenyl)-6-nitro-1H-benzimidazole
- English name
- 2-(4-Chlorophenyl)-5-nitrobenziMidazole, 95%
- Molecular formula
- C13H8ClN3O2
- Molecular weight
- 273.67
Names & synonyms
1571-87-52-(4-chlorophenyl)-5-nitrobenzimidazoleRefChem:252229GABAA receptor agent 12-(4-chlorophenyl)-5-nitro-1H-benzimidazole2-(4-chlorophenyl)-6-nitro-1H-1,3-benzodiazole2-(4-chlorophenyl)-6-nitro-1H-benzimidazoleMFCD05256114NSC657185SCHEMBL2247663CHEMBL1407741DTXSID601279614
Show more names
ABAA receptor a ent 1GABAA receptor agent 1 ，S1989GABAA receptor agent 1, 10 mM in DMSO2-(4-Chlorophenyl)-5-nitrobenziMidazole, 95%2-(4-Chlorophenyl)-5-nitrobenziMidazole, 95%1H-Benzimidazole, 2-(4-chlorophenyl)-6-nitro-2-(4-Chloro-phenyl)-5-nitro-1H-benzoimidazole
HMS2623J082-(4-Chlorophenyl)-5-nitro-1H-benzo[d]imidazoleBDBM50553700AKOS04073321710F-395SE74513SR-01000308835AJ-077/33269004
Database identifiers
- CAS
1571-87-5- PubChem CID
- 376353
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Melting point
- 296 °C · 296 °C
- Boiling point
- 502.1 · 502.1±56.0 °C(Predicted)
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 83.33 mg/mL · DMSO: 83.33 mg/mL (304.49 mM)
- pka
- 9.47 · 9.47±0.10(Predicted)
- form
- Solid
- color
- Light yellow to green yellow
- CAS DataBase Reference
- 1571 · 1571-87-5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 501 · P501-P270-P264-P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P501-P270-P264-P301+P312+P330
Chemistry & industry
Applications
UsesGABAA receptor agent 1 is a high affinity ligand for GABAA receptor, with potent anticonvulsant activity[1].
Suppliers27 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Related reactions
1 records
Compound notes
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