2-Benzofurancarbonitrile
Basic information
- CAS
41717-32-2- Standard SMILES
N#Cc1cc2ccccc2o1- InChIKey
ZQGAXHXHVKVERC-UHFFFAOYSA-N- Molecular formula
- C9H5NO
- Average molar mass
- 143.14 g/mol
- Monoisotopic mass
- 143.03711378
Names & identifiers
- Preferred name
- 2-Benzofurancarbonitrile
- IUPAC
- 1-benzofuran-2-carbonitrile
- English name
- 2-Cyanobenzofuran
- Molecular formula
- C9H5NO
- Molecular weight
- 143.14
Names & synonyms
1-benzofuran-2-carbonitrile2-Cyanobenzofuran2-BENZOFURANCARBONITRILECoumarilonitrileBRN 0116663DTXSID201945165-18-06-00423 (Beilstein Handbook Reference)RefChem:85551DTXCID60117007657-189-3InChI=1/C9H5NO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-541717-32-2
Show more names
benzofuran-2-carbonitrileMFCD01659779cyano-benzofuranSCHEMBL846924CHEMBL3358217BDBM50037879AKOS002679701DS-10470
Database identifiers
- CAS
41717-32-2- PubChem CID
- 38950
- DTXSID
DTXSID20194516- ChEMBL
CHEMBL3358217- EC Number
- 657-189-3
- Nikkaji
- J76.267I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- Light yellow to yellow Solid
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280
- HS Code
- 2932990090 · 2932990090
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses1-Benzofuran-2-carbonitrile is used in the synthesis of imidazoline I1 and I2 selective ligands for the imidazoline and α-adrenergic receptors. Also used in the synthesis of antiparasitic and antifungal arylthiazolines.
Related reactions
3 records
Compound notes
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