1-Chlorbut-2-en
Crotyl chloride
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Grundinformationen
- CAS
591-97-9- Standard-SMILES
CC=CCCl- InChIKey
YTKRILODNOEEPX-UHFFFAOYSA-N- Summenformel
- C4H7Cl
- Durchschnittliche Molmasse
- 90,55 g/mol
- Monoisotopische Masse
- 90,0236279
Überblick
used as a reagent in organic synthesis
Namen und Bezeichner
- Bevorzugter Name
- Crotyl chloride
- IUPAC
- 1-chlorobut-2-ene
- Lokaler Name
- 1-Chlorbut-2-en
- Englischer Name
- 1-Chloro-2-butene
- Summenformel
- C4H7Cl
- Molmasse
- 90.55
Namen und Synonyme
2-Butene, 1-chloro-Crotyl chloride591-97-9Krotylchloridgamma-Methallyl chloridegamma-Methylallyl chlorideDTXSID5052258RefChem:431467DTXCID0030829209-739-51-Chloro-2-butene2-Butenyl chloride
Weitere Namen anzeigen
CrotyLCrotylchlorid1-Chlorbut-2-en-Chloro-butylene1-chloro-2-buten2-butenylchloride
G6Y5C34N831-Chlorobut-2-enechloro-2-butenechloromethylpropene2-Buten-1-yl Chloridemethyallyl chloride4-chloro-2-butene3-methylallyl chloride
Datenbank-Bezeichner
- CAS
591-97-9- PubChem CID
- 11589
- DTXSID
DTXSID5052258- EC Number
- 209-739-5
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 30,6
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Other Classes -> Halogenated Aliphatics, Unsaturated
Flammable agents - 3rd degree
SpringerMaterials PropertiesDensity
Vapor Pressure69.0 [mmHg]
Physical Description(E)- and (Z)-forms are liquids; [Merck Index] Clear colorless liquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -65 °C · -65°C
- Siedepunkt
- 85 · 85-86 °C(lit.)
- Dichte
- 0.923 g/mL · 0.923 g/mL at 20 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.430
- Flammpunkt
- -12 °C · -12°C
- storage temp.
- 0 · 0-6°C
- Löslichkeit
- 14 g/L · water: soluble14g/L at 20°C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H225 (57.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 87 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Butene, 1-chloro-
1-Chloro-2-butene: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards Summary
An eye and respiratory tract irritant; [Merck Index] Contains 25-30% 3-Chloro-1-butene (CAS# 563-52-0) as residual from manufacture; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Sigma-Aldrich MSDS] See 3-Chloro-1-butene.
Hazard Classes and Categories
Flam. Liq. 2 (57.5%)
Flammable agents - 3rd degree, Reactive agents - 1st degree
Toxikologische Informationen
Adverse Effects
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information2-Butene, 1-chloro-: ACTIVE
Anwendungen
Beschreibung1-Chloro-2-butene is a butenylating agent via Grignard and other organometallic reagents, organoborane compounds, other nucleophiles, and organosilane compounds.
VerwendenCrotyl chloride has been used:to investihgate the kinetics of the reactions of atomic chlorine with series of unsaturated aldehydes and ketones at 298K, to probe structure-reactivity relationshipsin the preparation of (E)-crotyltrichlorosilane
Darstellung
synthetischepure isomers of 1-Chloro-2-butene can be prepared by chloride displacement of corresponding alcohols via Ph3P in various solvents, and other chlorinating agents.
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