Basic information
- CAS
1767-25-5- Standard SMILES
Nc1ccc2nc(-c3ccccc3)[nH]c2c1- InChIKey
NEWWXWMKZVSLFT-UHFFFAOYSA-N- Molecular formula
- C13H11N3
- Average molar mass
- 209.25 g/mol
- Monoisotopic mass
- 209.09529736
Names & identifiers
- Preferred name
- 2-phenyl-1H-1,3-benzodiazol-5-amine
- IUPAC
- 2-phenyl-3H-benzimidazol-5-amine
- English name
- 2-Phenyl-1H-benzo[d]imidazol-5-amine
- Molecular formula
- C13H11N3
- Molecular weight
- 209.25
Names & synonyms
2-phenyl-1H-1,3-benzodiazol-5-amineRefChem:478005978-381-61767-25-52-Phenyl-1H-benzoimidazol-5-ylamine2-Phenyl-1H-benzo[d]imidazol-5-amine2-phenyl-3H-benzimidazol-5-amine2-phenyl-1H-benzimidazol-5-amine1H-Benzimidazol-6-amine, 2-phenyl-MFCD004517711H-2-Phenyl-5-aminobenzimidazole2-Phenyl-1H-benzimidazol-6-amine
Show more names
2-Phenyl-1H-benzo[d]imidazol-6-ylamine
1H-Benzimidazol-6-amine,2-phenyl-NSC408146Oprea1_360666Oprea1_403187Oprea1_872543MLS000523587SCHEMBL396671SCHEMBL516689
Database identifiers
- CAS
1767-25-5- PubChem CID
- 348694
- DTXSID
DTXSID20324992- ChEMBL
CHEMBL1330989- EC Number
- 978-381-6
- Nikkaji
- J683.630E
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
- 237
Physicochemical properties
- Melting point
- 189 °C · 189 °C
- Boiling point
- 474.8 · 474.8±37.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 10.8 · 10.80±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P330-P362-P302+P352-P305+P351+P338-P405-P501
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
Warning
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P330-P362-P302+P352-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers26 total
济南药德生物科技有限公司17805033575; 17805033575 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海速博化学科技有限公司21-54820552 17702105771 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
厦门欣达诺生物科技有限公司0592-6266840 15750707980 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
南京宁凡医药科技有限公司17368696818
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
厦门欣达诺生物科技有限公司0592-6266840 15750707980 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…