Basic information
- CAS
25899-50-7- Standard SMILES
CC/C=C\C#N- InChIKey
ISBHMJZRKAFTGE-ARJAWSKDSA-N- Molecular formula
- C5H7N
- Average molar mass
- 81.12 g/mol
- Monoisotopic mass
- 81.05784923
Names & identifiers
- Preferred name
- 2-Pentenenitrile, (Z)-
- IUPAC
- (Z)-pent-2-enenitrile
- English name
- 2-Pentenenitrile
- Molecular formula
- C5H7N
- Molecular weight
- 81.12
Names & synonyms
2-Pentenenitrile, (Z)-RefChem:477867CIS-2-PENTENENITRILE25899-50-7(Z)-Pent-2-enenitrile2-Pentenenitrile, (2Z)-(2Z)-2-Pentenenitrilecis-1-Butenyl cyanide(Z)-2-PentenenitrileDTXSID202788413MIC793141-Cyano-1-butene
Show more names
2-Pentenenitrile(z)-2-pentenenitrilcis-1-butenylcyanide1-BUTEN-1-YL CYANIDE
cis-2-PentenonitrileCCRIS 1229EINECS 247-323-5(2Z)-pent-2-enenitrileBRN 1719855UNII-13MIC79314cis-pent-2-enenitrileCis-2-pentenenitrile;
Database identifiers
- CAS
25899-50-7- PubChem CID
- 6433944
- DTXSID
DTXSID2027884- ChEMBL
CHEMBL3185899- UNII
- 13MIC79314
- EC Number
- 247-323-5
- Nikkaji
- J181.278E
Properties
Computed structural properties
- 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
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 127 · 127-128 °C766 mm Hg(lit.)
- Density
- 0.821 g/mL · 0.821 g/mL at 20 °C(lit.)
- vapor density
- 2.8 · 2.8 (vs air)
- vapor pressure
- 46 mm · 46 mm Hg ( 50 °C)
- refractive index
- 20 · n20/D 1.424(lit.)
- Flash point
- 75 °F · 75 °F
- form
- Liquid
- Water Solubility
- 11.2 g/L · 11.2g/L at 20℃
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 13 MIC79314 · 13MIC79314
- EPA Substance Registry System
- 2 · 2-Pentenenitrile, (2Z)- (25899-50-7)
- Symbol(GHS)
- 2 · GHS02,GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 372 · H372-H317-H226-H311-H301-H331
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P260-P264-P270-P314-P501
- Hazard Codes
- T,Xn,F
- Risk Statements
- 11 · 11-20-36
- Safety Statements
- 16 · 16-36/37/39-45-7/9
- RIDADR
- 3276 · UN 3276 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 2260000 · SB2260000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- II
- Toxicity
- 450 mg/kg · LDLo orl-rat: 450 mg/kg EPASR* 8EHQ-1190-1121
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H301+H311+H331 (99%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P272, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P319, P321, P330, P333+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 105 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
2-Pentenenitrile, (2Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pentenenitrile, (2Z)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 20-08-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11707
cis-2-Pentenonitrile: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)；Skin Sens. 1B (100%)；Acute Tox. 3 (100%)；STOT RE 1 (100%)
Regulatory information
Regulatory Information
2-Pentenenitrile, (2Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pentenenitrile, (2Z)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 20-08-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11707
cis-2-Pentenonitrile: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SB2260000
- ridadr
- UN 3276 6.1/PG 3
- Toxicity
- LDLo orl-rat: 450 mg/kg EPASR* 8EHQ-1190-1121
- risk_code
- 11-20-36
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08,GHS06
- hazard_code
- T,Xn,F
- safety_code
- 16-36/37/39-45-7/9
- hazard_class
- 6.1(a)
- packing_group
- II
- Hazard statements
- H372-H317-H226-H311-H301-H331
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P260-P264-P270-P314-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <8,500,000 lb；2022: 1,000,000 - <8,500,000 lb；2021: 1,000,000 - <8,500,000 lb；2020: 1,000,000 - <8,500,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2-Pentenenitrile, (2Z)-: ACTIVE
Applications
UsesCis-2-pentenenitrile is a useful research chemical compound used in the preparation of tetrasubstituted alkenenitriles.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海右肯医药科技有限公司021-37910267 15821801668 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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