Completing data — refresh the page later to see the latest
Basic information
- CAS
13284-42-9- Standard SMILES
CCC=CC#N- InChIKey
ISBHMJZRKAFTGE-UHFFFAOYSA-N- Molecular formula
- C5H7N
- Average molar mass
- 81.12 g/mol
- Monoisotopic mass
- 81.05784922
Overview
See also: 2-Pentenenitrile (annotation moved to).
Names & identifiers
- Preferred name
- Pent-2-enenitrile
- IUPAC
- pent-2-enenitrile
- English name
- 2-Pentenenitrile
- Molecular formula
- C5H7N
- Molecular weight
- 81.12
Names & synonyms
Pent-2-enenitrilePentenenitrileDSSTox_CID_5850DSSTox_RID_77946DSSTox_GSID_25850SCHEMBL57531SCHEMBL701762SCHEMBL993678SCHEMBL6049382CHEMBL3185046ISBHMJZRKAFTGE-UHFFFAOYSA-NTox21_200185
Show more names
Techabout70%2-Pentenenitrile1-Butenyl cyanide2-Pentenenitrile>2-Pentenenitrile 70%1-BUTEN-1-YL CYANIDE2-PENTENENITRILE 95+%3-METHYL ACRYLONITRILE
MFCD00001936NCGC00257739-01CAS-13284-42-9NS00077392
Database identifiers
- CAS
13284-42-9- PubChem CID
- 25833
- DTXSID
DTXSID6025850- ChEMBL
CHEMBL3185046
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- 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
- 83.4
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 122 · 122-127 °C(lit.)
- Density
- 0.821 g/mL · 0.821 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.422
- Flash point
- 24 °C · 24 °C
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- BRN
- 1719854 · 1719854
- InChI
- InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3
- InChIKey
- ISBHMJZRKAFTGE-UHFFFAOYSA-N
- SMILES
- C(#N)C=CCC
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 · 2-Pentenenitrile (13284-42-9)
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
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- SB2260000
- ridadr
- UN 3276 6.1/PG 3
- hs_code
- 2926.90.5050
- risk_code
- 10-23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02, GHS06
- hazard_code
- T
- safety_code
- 16-28-36/37-45
- hazard_class
- 3/6.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H301-H311-H331
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 3
- Precautionary statements
- P261-P280-P301+P310-P311
Chemistry & industry
Applications
Uses2-Pentenenitrile is used as a storage stabilizer for curable cyclotetrasiloxane-terminated polymers. It also is used as an electrolyte for secondary batteries capable of preventing electrolyte decomposition and suppressing gas generation.
General DescriptionClear yellow liquid.
Upstream & downstream products
Upstream raw materials
Suppliers43 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
6 records
Compound notes
Loading…