Basic information
- CAS
110-47-4- Standard SMILES
CC(C)OCCC#N- InChIKey
BMSYXLRQGIFLFO-UHFFFAOYSA-N- Molecular formula
- C6H11NO
- Average molar mass
- 113.16 g/mol
- Monoisotopic mass
- 113.08406397
Names & identifiers
- Preferred name
- 3-Isopropoxypropiononitrile
- IUPAC
- 3-propan-2-yloxypropanenitrile
- English name
- BETA-ISOPROPOXYPROPIONITRILE
- Molecular formula
- C6H11NO
- Molecular weight
- 113.16
Names & synonyms
110-47-43-IsopropoxypropiononitrilePropanenitrile, 3-(1-methylethoxy)-NQ9G6S48X9EINECS 203-771-3AI3-17772DTXSID40593883-(1-METHYLETHOXY)PROPANENITRILERefChem:502844DTXCID1033163203-771-33-Isopropoxypropanenitrile
Show more names
Isopropoxypropionitrile,99+%3-(1-methylethoxy)-propanenitril3-[(1-Methylethyl)oxy]propanenitrile
3-Isopropoxypropionitrilebeta-Isopropoxypropionitrile3-(propan-2-yloxy)propanenitrile3-propan-2-yloxypropanenitrilePropionitrile, 3-isopropoxy-MFCD00019866Beta-iso-propoxypropionitrileUNII-NQ9G6S48X9
Database identifiers
- CAS
110-47-4- PubChem CID
- 66969
- DTXSID
DTXSID4059388- ChEMBL
CHEMBL4516778- UNII
- NQ9G6S48X9
- EC Number
- 203-771-3
- Nikkaji
- J193.584D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 89.9
Physicochemical properties
- Boiling point
- 179 ℃ · 179℃
- Density
- 0.8969 g/cm3 · 0.8969 g/cm3
- refractive index
- 1.4089 · 1.4089 (589.3 nm 20℃)
- FDA UNII
- 9 G6S48X9 · NQ9G6S48X9
- EPA Substance Registry System
- 3 · Propanenitrile, 3-(1-methylethoxy)- (110-47-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (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
Peroxide Forming Chemical
3-Isopropoxypropanenitrile
D: Other compounds that may form peroxides
Kelly
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-(1-methylethoxy)-: INACTIVE
Suppliers15 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Aladdin Scientific[email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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