Grundinformationen
- Standard-SMILES
C/C=C/CC#N- InChIKey
UVKXJAUUKPDDNW-NSCUHMNNSA-N- Summenformel
- C5H7N
- Durchschnittliche Molmasse
- 81,12 g/mol
- Monoisotopische Masse
- 81,05784922
Überblick
See also: 3-Pentenenitrile, (liquid) (annotation moved to); Pent-3-enenitrile (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- trans-3-Pentenenitrile
- IUPAC
- (E)-pent-3-enenitrile
- Englischer Name
- 3-Pentenenitrile
- Summenformel
- C5H7N
- Molmasse
- 81.12
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
16529-66-1、4635-87-4- PubChem CID
- 5324707
- DTXSID
DTXSID901019314- ChEMBL
CHEMBL1322495- UNII
- 80L2GJH2P2
- EC Number
- 605-402-5
- Nikkaji
- J298.912C、J38.121G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 23,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 83,4
Experimentelle und physikochemische Eigenschaften
Physical Description
Liquid
A colorless to amber liquid; [CAMEO]
Physikochemische Eigenschaften
- Siedepunkt
- 144 · 144-147 °C(lit.)
- Dichte
- 0.842 g/mL · 0.842 g/mL at 20 °C(lit.)
- Dampfdruck
- 24.9 mm · 24.9 mm Hg ( 50 °C)
- Brechungsindex
- 20 · n20/D 1.422
- Flammpunkt
- 104 °F · 104 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- Aggregatzustand
- liquid
- InChI
- 1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3/b3-2+
- InChIKey
- UVKXJAUUKPDDNW-NSCUHMNNSA-N
- SMILES
- [H]\C(C)=C(\[H])CC#N
- EPA chemische Informationen
- 3 · 3-Pentenenitrile, (3E)- (16529-66-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P316, P321, P330, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
3-Pentenenitrile is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Pentenenitrile 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)
Hazards Summary
An eye irritant; Emergency treatment: Propionitrile; Propionitrile can cause cyanide poisoning with rapid loss of consciousness; [HSDB] Mild irritant in eye of rabbit; [RTECS] Prolonged exposure may result in delayed cyanide poisoning. [CAMEO] See NITRILES.
Sicherheit und Schutzausrüstung
Disposal Methods
Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste numbers D003 and P030 must conform with USEPA regulations in storage, transportation, treatment and disposal of waste. /Cyanide cmpd/
A poor candidate for incineration. /Cyanides/
Preventive Measures
Workers should wash: Immediately when skin becomes contaminated. /Cyanides/
Work clothing should be changed daily: If there is any possibility that the clothing may be contaminated. /Cyanides/
Remove clothing: Immediately if it is non-impervious clothing that becomes contaminated. /Cyanides/
All nitriles should be handled under carefully controlled conditions and only by personnel having a thorough understanding and knowledge of safe handling techniques. Because of the nature of nitrile cmpd and the lack of complete toxicity data on many nitriles, care should be exercised in handling these cmpd to avoid inhalation of the vapors, ingestion, and contact with the skin. /Nitriles/
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Personal Protective Equipment (PPE)
Wear appropriate equipment to prevent: Any possibility of skin contact. /Cyanides/
Wear eye protection to prevent: Any possibility of eye contact. /Cyanides/
The following equipment should be available: Eyewash, quick drench. /Cyanides/
Recommendations for respirator selection. Max concn for use: 50 mg/cu m: Respirator Classes: Any supplied-air respirator. Any self-contained breathing apparatus. /Cyanides/
For more Personal Protective Equipment (PPE) (Complete) data for 3-PENTENENITRILE (6 total), please visit the HSDB record page.
Toxikologische Informationen
Interactions
The toxic mechanism of nitriles (including 3-pentenenitrile) and the effect of metabolic modifiers in mice were studied in relation to their physicochemical properties. All the test nitriles liberated cyanide both in vivo and in vitro, with the exception of benzonitrile, although the extent of liberation and the effect of carbon tetrachloride pretreatment on the mortality of animals differed among nitriles. From these results, test compounds were tentatively divided into 3 groups. In group 1, acute toxicity was greatly reduced by carbon tetrachloride pretreatment, in group 2, toxicity was not significantly changed or was somewhat enhanced, and in group 3, benzonitrile only, toxicity was clearly enhanced. The amount of cyanide was higher at death in the brains of mice given group 1 compounds, the level being comparable to that found in mice killed by dosing with potassium cyanide. The relation between log (1/LD50) and log p for the compounds in group 1 fitted a parabolic plot, while that for compounds in group 2 was linear. For most nitriles, the in vitro metabolism was inhibited when the incubation mixture contained either SKF-525A, carbon monoxide, or microsomes from mice treated with carbon tetrachloride. When mice were closed with ethyl alcohol, metabolic enhancement of nitriles was seen compared with the control. However, ethyl alcohol, when added to the incubation mixture, inhibited the in vitro metabolism of nitriles.
Non-Human Toxicity Excerpts
STRUCTURE-ACTIVITY RELATIONSHIPS WERE QUALITATIVELY & QUANTITIVELY EXAMINED FOR 56 COMPOUNDS (EG DERIVATIVES OF PROPIONITRILE, ACRYLONITRILE, & CYSTEAMINE) WHICH CAUSED DUODENAL ULCER &/OR ADRENOCORTICAL NECROSIS IN RATS. ULCEROGENIC ACTIVITY WAS MOST INTENSE IN THE CARBONITRILES ATTACHED TO 2 OR 3-C BACKBONES.
Antidote and Emergency Treatment
Rapid support of respiration and circulation is essential to successful treatment of cyanide intoxication. Massive cyanide overdoses have survived with only good supportive care. Immediate attention should be directed toward assisted ventilation, administration of 100% oxygen, insertion of intravenous lines, and institution of cardiac monitoring. Obtain an arterial blood gas immediately and correct any severe metabolic acidosis (pH below 7.15). Oxygen (100%) should be used routinely in moderate or severely symptomatic patients even in the presence of a normal pO2, since 100% O2 increases O2 delivery, may reactivate cyanide-inhibited mitochondrial enzymes, and potentiates the effect of thiosulfate. Avoid mouth to mouth resuscitation during CPR in order to prevent self poisoning. /Cyanides/
Amyl nitrite perles are designed to produce 3% to 5% methemoglobinemia while an iv line is established for iv sodium nitrite. As a temporizing measure, the patient inhales the vapors until the sodium nitrite is ready. Because of the variability in methemoglobin production and the potential for cardiovascular collapse, this step may be omitted if sodium nitrite is readily available and the patient is not in extremis. Adequate ventilation and oxygenation are more important than administration of amyl nitrite. One perle (0.2 ml) is crushed and inhaled for 30 seconds every minute until iv nitrite is given. Sodium nitrite (3% solution), as 10 ml of a 3% solution (eg, 300 mg), is administered iv slowly over 4 minutes to produce a 20% methemoglobin level in adults. Children should receive 0.33 ml of the 3% solution per kilogram initially at an infusion rate of 2.5 ml/min, up to a maximum of 10 ml. Administer sodium nitrite doses to children on the basis of body weight, since fatal methemoglobinemia has occurred in children. /Cyanides/
A case of cyanide poisoning resulting from exposure to propionitrile was decribed. A 55 year old male employed at a chemical facility suffered dermal and respiratory exposure while attempting to repair a pump leaking propionitrile. Although he was wearing gloves, he did not have any other protective equipment. He rapidly lost consciousness and was taken to the infirmary. Upon arrival at the infirmary, he was comatose and unresponsive. He was administered oxygen at the rate of 5 l/min and transferred to the intensive care unit of a hospital. Clinical studies showed evidence of respiratory alkalosis and mild metabolic acidosis. The patient received 4 g hydroxycobalamin and 8 g sodium thiosulfate iv over 30 minutes. The symptoms completely cleared up over the next hr. Blood cyanide and thiocyanate concentrations were monitored. Before receiving the hydroxycobalamin and thiosulfate treatment, his blood cyanide concn was 5.71 ug/ml. The thiocyanate concn was negligible. After the cyanide/thiosulfate infusion was completed, the blood cyanide concn had decreased to 0.93 ug/ml and the thiocyanate had increased to 21.1 ug/ml. The thiocyanate concentrations returned to the baseline value 5 hr after treatment. ... Propionitrile can release cyanide and produce serious poisoning after skin or inhalation exposure. The combination of sodium thiosulfate and hydroxycobalamin is an effective antidote. /Propionitrile/
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3275 6.1/PG 2
- risk_code
- 10-23/24/25-36/37/38-23-22
- hazard_code
- T
- safety_code
- 45
- hazard_class
- 6.1(a)
- packing_group
- I
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 4 OralFlam. Liq. 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
3-Pentenenitrile: ACTIVE
Anwendungen
Verwendentrans-3-Pentenenitrile can be used for insecticidal properties against insect pests of stored grains.
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