2-(Oxan-4-yl)acetonitrile
Basic information
- CAS
850429-50-4- Standard SMILES
N#CCC1CCOCC1- InChIKey
IOWDVKYQRLPOLY-UHFFFAOYSA-N- Molecular formula
- C7H11NO
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.08406397
Names & identifiers
- Preferred name
- 2-(Oxan-4-yl)acetonitrile
- IUPAC
- 2-(oxan-4-yl)acetonitrile
- English name
- (Tetrahydro-pyran-4-yl)-acetonitrile
- Molecular formula
- C7H11NO
- Molecular weight
- 125.17
Names & synonyms
2-(oxan-4-yl)acetonitrileRefChem:461645860-421-8850429-50-42-(Tetrahydro-2H-pyran-4-yl)acetonitrile4-Cyanomethyltetrahydropyran(TETRAHYDRO-PYRAN-4-YL)-ACETONITRILEMFCD04973733Tetrahydro-2H-pyran-4-acetonitriletetrahydro-2H-pyran-4-ylacetonitrile(Tetrahydropyran-4-yl)acetonitrile2-(Tetrahydropyran-4-yl)acetonitrile
Show more names
2-(4-oxanyl)acetonitrile2H-Pyran-4-acetonitrile, tetrahydro-Tetrahydro-2H-pyran-4-ylacetonitrile95%Tetrahydro-2H-pyran-4-ylacetonitrile 95%
(Oxan-4-yl)acetonitrileSCHEMBL2972790SCHEMBL22122238DTXSID803960342-tetrahydropyran-4-ylacetonitrileAKOS011671325AB21392CS-W018364
Database identifiers
- CAS
850429-50-4- PubChem CID
- 3759705
- DTXSID
DTXSID80396034- EC Number
- 860-421-8
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Boiling point
- 83 · 83-85/0.5mm
- Density
- 0.974 · 0.974
- Flash point
- 101.8 ℃ · 101.8℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- color
- light brown
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331-H341
- Precautionary statements
- 201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- Hazard Note
- Irritant
- HS Code
- 29329990 · 29329990
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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29329990
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H301-H311-H331-H341
- Precautionary statements
- P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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