1-クロロ-3-メチル-2-ブテン
1-Chloro-3-methyl-2-butene
基本情報
- CAS
503-60-6- 標準SMILES
CC(C)=CCCl- InChIKey
JKXQKGNGJVZKFA-UHFFFAOYSA-N- 分子式
- C5H9Cl
- 平均分子量
- 104.58 g/mol
- 単同位体質量
- 104.039278
名称と識別子
- 優先名称
- 1-Chloro-3-methyl-2-butene
- IUPAC
- 1-chloro-3-methylbut-2-ene
- 現地名
- 1-クロロ-3-メチル-2-ブテン
- 英語名
- 1-Chloro-3-methyl-2-butene
- 分子式
- C5H9Cl
- 分子量
- 104.58
名称と別名
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
名称をさらに表示
1-クロロ-3-メチル-2-ブテン4-クロロ-2-メチル-2-ブテン2-メチル-4-クロロ-2-ブテンプレニルクロリド3-メチル-2-ブテニルクロリドイソペンテニルクロリド3,3-ジメチルアリルクロリド1‐クロロ‐3‐メチル‐2‐ブテン1-クロロ-3-メチルブト-2-エン1-クロロ-3-メチルブト-2-エン (STABILIZED WITH K2CO3)1-クロロ-3-メチルブト-2-エン, TECH1-クロロ-3-メチルブタ-2-エン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%)
データベース識別子
- CAS
503-60-6- PubChem CID
- 10429
- DTXSID
DTXSID7060120- UNII
- KMT7V9LLBR
- EC Number
- 207-972-7
- Nikkaji
- J29.181A
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 1
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 51
実験および物理化学的性質
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]
物理化学的性質
- 沸点
- 58 · 58-59 °C/120 mmHg (lit.)
- 比重(密度)
- 0.928 g/mL · 0.928 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.4488(lit.)
- 闪点
- 56 °F · 56 °F
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- soluble in Chloroform, Ethyl Acetate
- 外見
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
毒性情報
Toxicity DataLC50 (rat) = 3,580 mg/m3
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29032990
- risk_code
- 11-36/37/38
- 化審法
- (2)-3279
- 消防法
- 危-4-1-II
- hazard_code
- F,Xi
- safety_code
化学と産業
用途と製造
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
応用分野
使用1-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.
一般的な説明Kinetics of gas-phase reactions of ozone with 1-chloro-3-methyl-2-butene was studied. Reaction of 1-chloro-3-methyl-2-butene with potassium iodide in acetone and sodium ethoxide in ethanol was studied.
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下流製品
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