Basic information
- CAS
4435-18-1- Standard SMILES
N#CC=C1CCCCC1- InChIKey
VLRQRRQHXZCEDL-UHFFFAOYSA-N- Molecular formula
- C8H11N
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.08914936
Names & identifiers
- Preferred name
- Acetonitrile, 2-cyclohexylidene-
- IUPAC
- 2-cyclohexylideneacetonitrile
- English name
- cyclohexylideneacetonitrile
- Molecular formula
- C8H11N
- Molecular weight
- 121.18
Names & synonyms
Cyclohexylideneacetonitrile4435-18-1Acetonitrile, cyclohexylidene-Acetonitrile, 2-cyclohexylidene-delta1,alpha-CyclohexaneacetonitrileEINECS 224-642-8NSC 100158DTXSID9063459RefChem:552410DTXCID2040311224-642-82-cyclohexylideneacetonitrile
Show more names
Cyclohexylideneacetonitrile - [AC78439].DELTA.1, .alpha.-Cyclohexaneacetonitrile2-Cyclohexylideneacetonitrile (2.2 RRT impurity)
MFCD11109254FCR3W52974NSC-100158.delta.(1,.alpha.)-CyclohexaneacetonitrileNSC100158Cyclohexylidene-acetonitrileNCIOpen2_0020612-cyclohexylidene-acetonitrile
Database identifiers
- CAS
4435-18-1- PubChem CID
- 97105
- DTXSID
DTXSID9063459- UNII
- FCR3W52974
- EC Number
- 224-642-8
- Nikkaji
- J205.814F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 215.91 °C · 215.91°C (rough estimate)
- Density
- 0.9483 · 0.9483
- refractive index
- 1.4382 · 1.4382 (estimate)
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
- FDA UNII
- 3 W52974 · FCR3W52974
- EPA Substance Registry System
- Acetonitrile, cyclohexylidene- (4435-18-1)
- Symbol(GHS)
- 6 · GHS06,GHS02
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H226
- Precautionary statements
- 501 · P501-P261-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P361+P364-P303+P361+P353-P301+P310+P330-P304+P340+P311-P403+P233-P403+P235-P405
- TSCA
- TSCA listed
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, P317, 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
Regulatory InformationChemical: Acetonitrile, cyclohexylidene-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS02
- Hazard statements
- H301+H311+H331-H226
- Precautionary statements
- P501-P261-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P361+P364-P303+P361+P353-P301+P310+P330-P304+P340+P311-P403+P233-P403+P235-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetonitrile, 2-cyclohexylidene-: INACTIVE
Suppliers10 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都精致化诚生物科技有限公司028-37664989 15900794981 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
围场满族蒙古族自治县元合生物技术研发有限公司0314-7886310 18830416512 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
15 records
Compound notes
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