Basic information
- CAS
203302-73-2- Standard SMILES
Nc1ccc2nc(Cl)[nH]c2c1- InChIKey
HCPPGSITODINMJ-UHFFFAOYSA-N- Molecular formula
- C7H6ClN3
- Average molar mass
- 167.59 g/mol
- Monoisotopic mass
- 167.02502487
Names & identifiers
- Preferred name
- 1H-Benzimidazol-5-amine, 2-chloro-
- IUPAC
- 2-chloro-3H-benzimidazol-5-amine
- English name
- 1H-Benzimidazol-5-amine,2-chloro-(9CI)
- Molecular formula
- C7H6ClN3
- Molecular weight
- 167.6
Names & synonyms
203302-73-21H-Benzimidazol-5-amine, 2-chloro-DTXSID10440655RefChem:237448DTXCID703914772-chloro-1H-benzo[d]imidazol-5-amine2-Chloro-1H-benzo[d]imidazol-6-amine2-chloro-1H-Benzimidazol-6-amine2-chloro-3H-benzimidazol-5-amine1H-Benzimidazol-6-amine, 2-chloro-2-CHLORO-1H-1,3-BENZODIAZOL-5-AMINEMFCD21333149
Show more names
2-chloro-1(3)H-benzoimidazol-5-ylamine1H-Benzimidazol-5-amine,2-chloro-(9CI)
MFCD188073625-amino-2-chlorobenzimidazole6-Amino-2-chlorobenzimidazoleSCHEMBL1663309SCHEMBL1663312HCPPGSITODINMJ-UHFFFAOYSA-NXH00162-chloro-1H-1,3-benzodiazol-6-amine
Database identifiers
- CAS
203302-73-2- PubChem CID
- 10487288
- DTXSID
DTXSID10440655
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 430.6 · 430.6±37.0 °C(Predicted)
- Density
- 1.533 · 1.533±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture
- pka
- 9.19 · 9.19±0.10(Predicted)
- Appearance
- White to off-white Solid
Chemistry & industry
Suppliers15 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
南通博苏医药科技有限公司0513-51005092; 15962844273 · [email protected]
上海景容化学科技有限公司021-60546673 13701861782 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology
Related reactions
1 records
Compound notes
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