4-(1H-imidazol-4-yl)aniline
Basic information
- CAS
29528-28-7- Standard SMILES
Nc1ccc(-c2cnc[nH]2)cc1- InChIKey
CENKJXADYBDCLM-UHFFFAOYSA-N- Molecular formula
- C9H9N3
- Average molar mass
- 159.19 g/mol
- Monoisotopic mass
- 159.0796473
Names & identifiers
- Preferred name
- 4-(1H-imidazol-4-yl)aniline
- IUPAC
- 4-(1H-imidazol-5-yl)aniline
- English name
- 4-(1H-Imidazol-4-yl)aniline
- Molecular formula
- C9H9N3
- Molecular weight
- 159.19
Names & synonyms
4-(1H-Imidazol-4-yl)aniline29528-28-7DTXSID90358688RefChem:510510DTXCID60309743854-291-14-(1H-imidazol-5-yl)anilinebenzenamine, 4-(1H-imidazol-5-yl)-MFCD00297065CHEMBL17707364-(1h-imidazol-4-yl)benzenamine4-(4-Aminophenyl)-1H-imidazole
Show more names
Benzenamine,4-(1H-imidazol-5-yl)-
4-(1H-imidazol-5-yl)benzenamine4-(1H-Imidazol-4-yl)-phenylamineBenzenamine, 4-(1H-imidazol-4-yl)-4-imidazol-4-ylphenylamine4-(imidazol-4-yl)-anilineOprea1_670733SCHEMBL1283665SCHEMBL17782163
Database identifiers
- CAS
29528-28-7- PubChem CID
- 910176
- DTXSID
DTXSID90358688- ChEMBL
CHEMBL1770736- EC Number
- 854-291-1
- Nikkaji
- J347.114D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 98 °C · 98 °C
- Boiling point
- 438.2 · 438.2±20.0 °C(Predicted)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 14.61 · 14.61±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933299090 · 2933299090
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
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…