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Basic information
- CAS
15970-40-8- Standard SMILES
Nc1nc(-c2ccccc2)cn1N- InChIKey
PDRGDRQVKOPWFY-UHFFFAOYSA-N- Molecular formula
- C9H10N4
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.09054634
Names & identifiers
- Preferred name
- 4-phenyl-1H-imidazole-1,2-diamine
- IUPAC
- 4-phenylimidazole-1,2-diamine
- English name
- 4-Phenyl-1H-imidazole-1,2-diamine
- Molecular formula
- C9H10N4
- Molecular weight
- 174.2
Names & synonyms
4-phenyl-1H-imidazole-1,2-diamineRefChem:526336996-098-615970-40-84-phenylimidazole-1,2-diamine1H-Imidazole-1,2-diamine, 4-phenyl-MFCD00778400SMR000146952Oprea1_674449MLS0005548351,2-diamino-4-phenylimidazoleSCHEMBL2953516
Show more names
CHEMBL13190981,2-diamino-4-phenyl-imidazole4-Phenyl-imidazole-1,2-diaminePDRGDRQVKOPWFY-UHFFFAOYSA-N1,2-di-amino-4-phenyl-imidazoleHMS2300G18ALBB-030331STK832989
Database identifiers
- CAS
15970-40-8- PubChem CID
- 765290
- ChEMBL
CHEMBL1319098- EC Number
- 996-098-6
- Nikkaji
- J1.712.061A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 456.6 · 456.6±38.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 5.7 · 5.70±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P333+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%)；Acute Tox. 4 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
陕西西化化学工业有限公司18161915376 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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