1-Iodo-3-methylbutane (HCID 10924)

名称と識別子

優先名称: 1-Iodo-3-methylbutane
IUPAC: 1-iodo-3-methylbutane
現地名: 1-ヨード-3-メチルブタン
英語名: 1-Iodo-3-methylbutane
分子式: C5H11I
分子量: 198.05

名称と別名

1-Iodo-3-methylbutaneIsoamyl iodide541-28-6Isopentyl iodideBUTANE, 1-IODO-3-METHYL-3-Methylbutyliodide1-iodo-3-methyl-butaneiso-Amyliodide1-Jod-3-methylbutan1-Jod-3-methylbutan [Czech]4-Iodo-2-methylbutaneEINECS 208-773-8

名称をさらに表示

1-ヨード-3-メチルブタンよう化イソペンチルイソペンチルヨージドイソアミルヨージド4-ヨード-2-メチルブタンよう化イソアミル1-ヨード-3-メチルブタンヨウ化イソアミルヨウ化物よう化ISO-ペンチル1‐ヨード‐3‐メチルブタン1-ヨード-3-メチルブタン, 97%Iodo-isopentaneCH2ICH2CH(CH3)21-iodo-3-methyl-butan3-Methyl-1-iodobutane

UNII-E1E5DU187LMFCD00039414BRN 1730990E1E5DU187L4-01-00-00331 (Beilstein Handbook Reference)isoamyliodideIsoamyljodid1-IODO-3-METHYL BUTANE

データベース識別子

CAS: 541-28-6
PubChem CID: 10924
DTXSID: DTXSID8060246
UNII: E1E5DU187L
EC Number: 208-773-8
Nikkaji: J6.392D

物性

構造計算による物性

XLogP: 3.4
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: 2
重原子数: 6
形式電荷: 0
複雑度: 25.1

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid; Turns brown on air and light exposure; [Merck Index] Colorless to pale yellow liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: -85.6 °C · -85.6°C (estimate)
沸点: 149 °C · 149 °C(lit.)
比重(密度): 1.497 g/mL · 1.497 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.492(lit.)
闪点: 115 °F · 115 °F
貯蔵温度: Flammables area
外見: clear liquid
色: Colorless to Light yellow to Light orange
水溶解度: 水に不溶。ほとんどの一般的な有機溶剤に溶けます。
Merck: 14 · 14,5120
BRN: 1730990 · 1730990
Dielectric constant: 5.6 · 5.5999999999999996
InChI: 1S/C5H11I/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
InChIKey: BUZZUHJODKQYTF-UHFFFAOYSA-N
SMILES: CC(C)CCI
CAS データベース: 541 · 541-28-6(CAS DataBase Reference)
NISTの化学物質情報: 1 · Butane, 1-iodo-3-methyl-(541-28-6)
EPAの化学物質情報: 1 · Butane, 1-iodo-3-methyl- (541-28-6)

化学的性質

化学的特性clear slightly yellow to pink liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationIsopentyl iodide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; Harmful by ingestion; [Alfa Aesar MSDS] See sec-Butyl iodide.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

F: 1-8-9
wgk: 3
tsca: TSCA listed
rtecs: EK4412000
ridadr: UN 1993 3/PG 3
hs_code: 29033080
risk_code: 10-22
安衛法: 57,57-2
消防法: 危-4-2-III
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 16
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationButane, 1-iodo-3-methyl-: ACTIVE

応用分野

使用1-Iodo-3-methylbutane can be used for organic synthesis or used as solvents.

調製方法 · 1 件

製造方法Synthesis of 1-Iodo-3-methylbutane: Bromo-3-methylbutane (30.2 g, 0.20 mol) was added dropwise to a mixture of NaI (44.97g, 0.30 mol) and acetone (500 mL). The mixture was refluxed overnight. The mixture was filtrated and the filter cake was washed with (2 x 50 mL) acetone. The acetone was evaporated under reduced pressure. 1-Iodo-3-methylbutane was distilled under vacuum to give 13.8g (35 %) (b.p. 25 - 35°C, 15 mmHg).