Basic information
- CAS
2980-80-5- Standard SMILES
[C-]#[N+]c1ccc(C#N)cc1- InChIKey
CIROOWQVERYDSK-UHFFFAOYSA-N- Molecular formula
- C8H4N2
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.03744814
Names & identifiers
- Preferred name
- 4-Isocyanobenzonitrile
- IUPAC
- 4-isocyanobenzonitrile
- English name
- Benzonitrile, 4-isocyano- (9CI)
- Molecular formula
- C8H4N2
- Molecular weight
- 128.13
Names & synonyms
4-isocyanobenzonitrile2980-80-5DTXSID80332311RefChem:293616DTXCID702834044-isocyanobenzonitrilBenzonitrile, 4-isocyano-4-isocyanobenzenecarbonitrileSCHEMBL324969CIROOWQVERYDSK-UHFFFAOYSA-NMFCD02664546SBB079370
Show more names
Benzonitrile, 4-isocyano- (9CI)
AKOS001476181DB-285742EN300-1837700
Database identifiers
- CAS
2980-80-5- PubChem CID
- 449775
- DTXSID
DTXSID80332311- EC Number
- 695-564-3
- Nikkaji
- J640.981D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers7 total
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
吉林中科研伸科技有限公司043180534350 19917294565 · [email protected]
Related reactions
2 records
Compound notes
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