1-Chlor-3-methylbut-2-en
1-Chloro-3-methyl-2-butene
Grundinformationen
- CAS
503-60-6- Standard-SMILES
CC(C)=CCCl- InChIKey
JKXQKGNGJVZKFA-UHFFFAOYSA-N- Summenformel
- C5H9Cl
- Durchschnittliche Molmasse
- 104,58 g/mol
- Monoisotopische Masse
- 104,039278
Namen und Bezeichner
- Bevorzugter Name
- 1-Chloro-3-methyl-2-butene
- IUPAC
- 1-chloro-3-methylbut-2-ene
- Lokaler Name
- 1-Chlor-3-methylbut-2-en
- Englischer Name
- 1-Chloro-3-methyl-2-butene
- Summenformel
- C5H9Cl
- Molmasse
- 104.58
Namen und Synonyme
1-CHLORO-3-METHYL-2-BUTENE503-60-6Prenyl chloride1-Chloro-3-methylbut-2-ene2-Butene, 1-chloro-3-methyl-3,3-Dimethylallyl chloride3-Methyl-2-butenyl chloride3-Methylcrotyl chlorideIsoprenyl chloridegamma,gamma-Dimethylallyl chloride4-Chloro-2-methyl-2-butene1-chloro-3-methyl-but-2-ene
Weitere Namen anzeigen
Isopentenyl chloride-2-buteneIsoprenylchloridechloroisopentylene1-Chloro-3-methyl-2-3-methylcrotylchloride
KMT7V9LLBRUNII-KMT7V9LLBRHSDB 6129EINECS 207-972-7MFCD00000982.gamma.,.gamma.-Dimethylallyl chloride3-methyl-1-chloro-2-butene1-Chloro-3-methyl-2-butene (>85%)
Datenbank-Bezeichner
- CAS
503-60-6- PubChem CID
- 10429
- DTXSID
DTXSID7060120- UNII
- KMT7V9LLBR
- EC Number
- 207-972-7
- Nikkaji
- J29.181A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 51
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Halogenated Aliphatics, Unsaturated
SpringerMaterials PropertiesDensity
Density0.9273 @ 20 °C/4 °C
SolubilityINSOL IN WATER; SOL IN ALCOHOL, ETHER, ACETONE; VERY SOL IN CHLOROFORM
Boiling Point109 °C @ 760 MM HG
Refractive IndexINDEX OF REFRACTION: 1.4485 @ 20 °C/D
Physical DescriptionColorless liquid; [MSDSonline]
Physikochemische Eigenschaften
- Siedepunkt
- 58 · 58-59 °C/120 mmHg (lit.)
- Dichte
- 0.928 g/mL · 0.928 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.4488(lit.)
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 (98.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Butene, 1-chloro-3-methyl-
REACH registered substance: 1-chloro-3-methylbut-2-ene (EC: 207-972-7)
Hazards SummaryA skin and severe eye irritant; [MSDSonline]
Hazard Classes and CategoriesFlam. Liq. 2 (98.3%)
Toxikologische Informationen
Toxicity DataLC50 (rat) = 3,580 mg/m3
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29032990
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
2-Butene, 1-chloro-3-methyl-: ACTIVE
THE PREPN & USE OF 5-OXA-2-METHYL-7-PHENYL-2-HEPTENE IN PERFUME COMPOSITIONS IS DESCRIBED.
THE INSECT ATTRACTANT CONTAINS ADDUCTS OF ISOPRENE & HYDROCHLORIC ACID, WHICH ARE EFFECTIVE TO BEE & HORSEFLY. 100 ML ISOPRENE IS TREATED WITH 0.55 MOLE EQUIV OF HYDROCHLORIC ACID @ 0 °C TO GIVE THE ADDUCT, WHICH IS A MIXT CONTAINING 63% 3-CHLORO-3-METHYL-1-BUTENE, 32% 1-CHLORO-3-METHYL-2-BUTENE, & OTHER MINOR COMPONENTS.
SUBSTITUTED CYCLOHEXANE OR CYCLOHEXENE ALC OR KETONES ARE PREPD & USED AS ODOR-MODIFYING INGREDIENTS IN PERFUMES.
TERPENE ALCOHOLS ARE ANTIFOULING AGENTS.
TERPENE CARBONYLS AS BACTERICIDES AND FUNGICIDES
Anwendungen
Verwenden1-Chloro-3-methyl-2-butene is used in the synthesis of geraniol. It is also used as an alkylating agent and as a reagent in hyperforin. Further, it is used as an antibiotic to inhibit growth of tumor cells.
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