1-Chloro-3-methyl-2-butene (HCID 10429)

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-BUTENE503-60-61-Chloro-3-methylbut-2-enePrenyl chloride2-Butene, 1-chloro-3-methyl-3,3-Dimethylallyl chloride3-Methyl-2-butenyl chloride3-Methylcrotyl chloride1-chloro-3-methyl-but-2-eneKMT7V9LLBRUNII-KMT7V9LLBRHSDB 6129

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

gamma,gamma-Dimethylallyl chlorideIsoprenyl chlorideEINECS 207-972-74-Chloro-2-methyl-2-buteneMFCD00000982.gamma.,.gamma.-Dimethylallyl chloride1-Chloro-3-methyl-2-butene (>85%)prenylchloride

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 Å²
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

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: clear liquid
色: Colorless to Light yellow
水溶解度: クロロホルム、アセトン、エーテル、アルコールと混和します。水と混和しない。
InChI: InChI=1S/C5H9Cl/c1-5(2)3-4-6/h3H,4H2,1-2H3
InChIKey: JKXQKGNGJVZKFA-UHFFFAOYSA-N
SMILES: C(Cl)/C=C(/C)\C
CAS データベース: 503 · 503-60-6(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Butene, 1-chloro-3-methyl-(503-60-6)
EPAの化学物質情報: 2 · 2-Butene, 1-chloro-3-methyl- (503-60-6)

化学的性質

化学的特性Colorless Liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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 · 2 件

Chemical: 2-Butene, 1-chloro-3-methyl-

Status: Active Update: 18-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20883

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: 16-26-27-36/37/39
hazard_class: 3
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids
有毒物質データの: 503-60-6(Hazardous Substances Data)

化学と産業

用途と製造

General Manufacturing Information · 6 件

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.