Basic information
- CAS
2562-81-4- Standard SMILES
c1ccc2c(-c3nc4ccccc4[nH]3)cccc2c1- InChIKey
PAOHHYDZFURJKA-UHFFFAOYSA-N- Molecular formula
- C17H12N2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.10004839
Names & identifiers
- Preferred name
- 2-(naphthalen-1-yl)-1H-1,3-benzodiazole
- IUPAC
- 2-naphthalen-1-yl-1H-benzimidazole
- English name
- 1H-Benzimidazole, 2-(1-naphthalenyl)-
- Molecular formula
- C17H12N2
- Molecular weight
- 244.29
Names & synonyms
2562-81-42-(naphthalen-1-yl)-1H-1,3-benzodiazole2-(Naphthalen-1-yl)-1H-benzo[d]imidazole2-naphthalen-1-yl-1H-benzimidazole2-(1-naphthyl)-1h-benzimidazole1H-Benzimidazole, 2-(1-naphthalenyl)-MLS002920612NSC144033SCHEMBL784353CHEMBL1996259SCHEMBL29825055SCHEMBL31677102
Show more names
2-(1-naphthalenyl)-1H-benzimidazole
DTXSID40301528CAA56281AKOS0030293962-(naphthalen-1-yl)-1H-benzimidazoleNSC-144033DA-28769SMR0017981992-(Naphthalen-1-yl)-1H-1,3-benzimidazole
Database identifiers
- CAS
2562-81-4- PubChem CID
- 286183
- DTXSID
DTXSID40301528- ChEMBL
CHEMBL1996259- Nikkaji
- J1.867.467J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 272 · 272-274 °C
- Boiling point
- 490.5 · 490.5±28.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- pka
- 11.41 · 11.41±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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海合寰化工科技有限公司18621911604 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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