Basic information
- CAS
5805-39-0- Standard SMILES
Nc1ccccc1-c1nc2ccccc2[nH]1- InChIKey
YWNXHTNWOQHFRL-UHFFFAOYSA-N- Molecular formula
- C13H11N3
- Average molar mass
- 209.25 g/mol
- Monoisotopic mass
- 209.09529736
Overview
2-(1H-benzimidazol-2-yl)aniline is a member of the class of benzimidazoles that is 1H-benzimidazole substituted by a 2-aminophenyl group at position 2. It has a role as a geroprotector. It is a member of benzimidazoles, a substituted aniline and a primary arylamine.
Names & identifiers
- Preferred name
- 2-(1H-benzimidazol-2-yl)aniline
- IUPAC
- 2-(1H-benzimidazol-2-yl)aniline
- English name
- 2-(2-Aminophenyl)benzimidazole
- Molecular formula
- C13H11N3
- Molecular weight
- 209.25
Names & synonyms
5805-39-02-(1H-Benzo[D]Imidazol-2-Yl)Aniline2-(2-Aminophenyl)benzimidazole2-(1H-Benzimidazol-2-yl)aniline2-(1H-Benzoimidazol-2-yl)-phenylamine2-(2-Aminophenyl)-1H-benzimidazole2-(1H-1,3-benzodiazol-2-yl)anilineBenzenamine, 2-(1H-benzimidazol-2-yl)-2-(o-Aminophenyl)benzimidazole68CGQ2L75VEINECS 227-361-92-(1H-Benzimidazol-2-yl)benzenamine
Show more names
IFLAB-BB F1386-0372TIMTEC-BB SBB010138LABOTEST-BB LT004535822-(aminophenyl)benzimidazole2-(3aH-benzimidazol-2-yl)aniline2-(2-AMINOPHENYL)BENZIMIDAZOLE 98%
NSC-1381622-[O-Aminophenyl]benzimidazole2-[benzimidazol-2-yl]benzenamineCHEBI:180505DTXSID30206775NSC 1381622-(1H-BENZO(D)IMIDAZOL-2-YL)ANILINE2-(benzimidazol-2-yl)benzenamine
Database identifiers
- CAS
5805-39-0
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 211 · 211-215 °C(lit.)
- Boiling point
- 460.1 · 460.1±47.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 11.3 · 11.30±0.10(Predicted)
- form
- Solid
- color
- Light Brown
- Water Solubility
- Insoluble in water.
- BRN
- 173018 · 173018
- InChI
- InChI=1S/C13H11N3/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,14H2,(H,15,16)
- InChIKey
- YWNXHTNWOQHFRL-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=CC=C1C1NC2=CC=CC=C2N=1
- CAS DataBase Reference
- 5805 · 5805-39-0(CAS DataBase Reference)
- FDA UNII
- 68 CGQ2L75V · 68CGQ2L75V
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Applications
Uses2-(2-Aminophenyl)benzimidazole is used as pharmaceutical intermediate.
Suppliers95 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
14 records
Compound notes
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