Basic information
- CAS
4635-87-4- Standard SMILES
CC=CCC#N- InChIKey
UVKXJAUUKPDDNW-UHFFFAOYSA-N- Molecular formula
- C5H7N
- Average molar mass
- 81.12 g/mol
- Monoisotopic mass
- 81.05784923
Names & identifiers
- Preferred name
- 3-Pentenenitrile, Pract.
- IUPAC
- pent-3-enenitrile
- English name
- 3-Pentenenitrile
- Molecular formula
- C5H7N
- Molecular weight
- 81.12
Names & synonyms
DTXSID10258513-Pentenenitrile, Pract.SCHEMBL155326SCHEMBL386511SCHEMBL701763SCHEMBL931351SCHEMBL3854073CHEMBL3181969SCHEMBL18632163UVKXJAUUKPDDNW-UHFFFAOYSA-NCID 20750AKOS028108399
Show more names
3-Pentcrotyl cyanide3-PENTENONITRILE1-CYANO-2-BUTENE3-Pentenenitrilepent-3-enenitrile3-penetenenitrlle2-Butenyl cyanide3-Pentenenitrile>2-BUTEN-1-YL CYANIDE
NS00077449
Database identifiers
- CAS
4635-87-4- PubChem CID
- 20750
- DTXSID
DTXSID1025851- ChEMBL
CHEMBL3181969
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 83
Physicochemical properties
- Boiling point
- 144 · 144-147 °C(lit.)
- Density
- 0.842 g/mL · 0.842 g/mL at 20 °C(lit.)
- vapor pressure
- 24.9 mm · 24.9 mm Hg ( 50 °C)
- refractive index
- 20 · n20/D 1.422
- Flash point
- 104 °F · 104 °F
- CAS DataBase Reference
- 4635 · 4635-87-4
- FDA UNII
- 2 GHQ8L4DH · I2GHQ8L4DH
- EPA Substance Registry System
- 3 · 3-Pentenenitrile (4635-87-4)
- Symbol(GHS)
- 8 · GHS08,GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 330 · H330-H301-H226-H361
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P201-P202-P281-P308+P313-P405-P501
- Hazard Codes
- T
- Risk Statements
- 10 · 10-23/24/25-36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3275 6.1/PG 2
- risk_code
- 10-23/24/25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS02,GHS06
- hazard_code
- T
- safety_code
- 45-41-36/37/39-14
- hazard_class
- 3/6.1
- packing_group
- II
- Hazard statements
- H330-H301-H226-H361
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P201-P202-P281-P308+P313-P405-P501
- Hazardous Substances Data
- 4635-87-4(Hazardous Substances Data)
Chemistry & industry
Applications
General DescriptionA clear colorless to amber liquid. Less dense than water. Flash point 104°F. Boiling point 296°F. Generally stable and not liable to polymerization. May be toxic by skin absorption, inhalation or ingestion. Prolonged exposure may result in delayed cyanide poisoning. Avoid direct contact with vapors, mists or liquid. May produce cyanide gas and carbon monoxide during combustion. Used in the manufacture of various organic chemicals.
Upstream & downstream products
Downstream products
Suppliers25 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Related reactions
8 records
Compound notes
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