Grundinformationen
- Standard-SMILES
CC/C=C\C#N- InChIKey
ISBHMJZRKAFTGE-ARJAWSKDSA-N- Summenformel
- C5H7N
- Durchschnittliche Molmasse
- 81,12 g/mol
- Monoisotopische Masse
- 81,05784923
Namen und Bezeichner
- Bevorzugter Name
- 2-Pentenenitrile, (Z)-
- IUPAC
- (Z)-pent-2-enenitrile
- Lokaler Name
- (Z)-Pent-2-ennitril
- Englischer Name
- 2-Pentenenitrile
- Summenformel
- C5H7N
- Molmasse
- 81.12
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
25899-50-7- PubChem CID
- 6433944
- DTXSID
DTXSID2027884- ChEMBL
CHEMBL3185899- UNII
- 13MIC79314
- EC Number
- 247-323-5
- Nikkaji
- J181.278E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 23,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 83
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 127 · 127-128 °C766 mm Hg(lit.)
- Dichte
- 0.821 g/mL · 0.821 g/mL at 20 °C(lit.)
- Dampfdichte
- 2.8 · 2.8 (vs air)
- Dampfdruck
- 46 mm · 46 mm Hg ( 50 °C)
- Brechungsindex
- 20 · n20/D 1.424(lit.)
- Flammpunkt
- 75 °F · 75 °F
- Aggregatzustand
- Liquid
- Wasserlöslichkeit
- 11.2 g/L · 11.2g/L at 20℃
- EPA chemische Informationen
- 2 · 2-Pentenenitrile, (2Z)- (25899-50-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
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
Regulatorische Informationen
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
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3276 6.1/PG 3
- RTECS-Nr.
- SB2260000
- risk_code
- 11-20-36
- Toxizität
- LDLo orl-rat: 450 mg/kg EPASR* 8EHQ-1190-1121
- hazard_code
- T,Xn,F
- safety_code
- 16-36/37/39-45-7/9
- hazard_class
- 6.1(a)
- packing_group
- II
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2-Pentenenitrile, (2Z)-: ACTIVE
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