Basic information
- CAS
98298-49-8- Standard SMILES
N#Cc1ccc(-c2ncc[nH]2)cc1- InChIKey
ISJCKCQDMBPKML-UHFFFAOYSA-N- Molecular formula
- C10H7N3
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.06399722
Names & identifiers
- Preferred name
- 4-(1H-imidazol-2-yl)benzonitrile
- IUPAC
- 4-(1H-imidazol-2-yl)benzonitrile
- English name
- 4-(1H-IMIDAZOL-2-YL)-BENZONITRILE
- Molecular formula
- C10H7N3
- Molecular weight
- 169.18
Names & synonyms
4-(1H-imidazol-2-yl)benzonitrile98298-49-84-(Imidazol-2-yl)benzonitrileBenzonitrile, 4-(1H-imidazol-2-yl)-MFCD058633864-(1H-IMIDAZOL-2-YL)-BENZONITRILEBenzonitrile,4-(1H-imidazol-2-yl)-2-(4-cyanophenyl)-1H-imidazoleSCHEMBL378124SCHEMBL2651838DTXSID60356272ISJCKCQDMBPKML-UHFFFAOYSA-N
Show more names
4-imidazol-2-ylbenzenecarbonitrileSBB088292AKOS006281906AS-47982SY012466DB-080511F17469AQ-776/42801243
Database identifiers
- CAS
98298-49-8- PubChem CID
- 821026
- DTXSID
DTXSID60356272- Nikkaji
- J2.425.702I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933299090 · 2933299090
Safety & regulation
Safety data
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-(1H-Imidazol-2-yl)benzonitrile
Suppliers15 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
2 records
Compound notes
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