Isobutyl iodide (HCID 10556)

概要

Iodomethylpropane appears as a colorless liquid mixture of isomers that discolors in air. Denser than water. Vapors are heavier than air. May be mildly toxic by inhalation. Used as a solvent and to make pharmaceuticals.

名称と識別子

優先名称: Isobutyl iodide
IUPAC: 1-iodo-2-methylpropane
現地名: 1-ヨード-2-メチルプロパン
英語名: Isobutyl iodide
分子式: C4H9I
分子量: 184.02

名称と別名

Isobutyl iodide1-IODO-2-METHYLPROPANE513-38-2Propane, 1-iodo-2-methyl-IsobutyljodidPrimary isobutyl iodideIsobutyljodid [Czech]1-Jod-2-methylpropan1-Jod-2-methylpropan [Czech]NSC 8421EINECS 208-160-5BRN 1730927

名称をさらに表示

1-ヨード-2-メチルプロパン2-メチル-1-ヨードプロパン2-(ヨードメチル)プロパン2-メチルプロピルヨージドよう化イソブチルイソブチルヨージド1-ヨード-2-メチルプロパンヨウ化物1-ヨード-2-メチルプロパンヨウ化物ヨウ化イソブチルよう化ISO-ブチル1‐ヨード‐2‐メチルプロパン1-ヨード-2-メチルプロパン, 98%, STAB. WITH COPPERIsobutyl iodineISO-BUTANEIODIDEIodide isobutane1-Iodo-iso-butaneiodomethylpropanes1-IODOMETHYLPROPANE

UNII-82IJ6B9708iso-C4H9INSC-842182IJ6B9708ISOBUTYL IODIDE [MI]DTXSID90601544-01-00-00299 (Beilstein Handbook Reference)iodomethylpropane

データベース識別子

CAS: 513-38-2
PubChem CID: 10556
DTXSID: DTXSID9060154
UNII: 82IJ6B9708
EC Number: 208-160-5
Nikkaji: J2.620D

物性

構造計算による物性

XLogP: 2.8
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: 5
形式電荷: 0
複雑度: 17.6

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

Physical DescriptionIodomethylpropane appears as a colorless liquid mixture of isomers that discolors in air. Denser than water. Vapors are heavier than air. May be mildly toxic by inhalation. Used as a solvent and to make pharmaceuticals.

物理化学的性質

融点: -93 °C · -93 °C
沸点: 120 · 120-121 °C(lit.)
比重(密度): 1.599 g/mL · 1.599 g/mL at 25 °C(lit.)
蒸気密度: 6 · 6 (vs air)
蒸気圧: 20 mm · 20 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.496(lit.)
闪点: 55 °F · 55 °F
貯蔵温度: Flammables area
溶解性: アルコール：混和性（点灯）
外見: 液体
色: 無色透明～薄橙色
水溶解度: 不溶性
比熱容量: 0.88 J/ · Cp(liquid): 0.88 J/(g·K), at 25℃
Merck: 14 · 14,5144
BRN: 1730927 · 1730927
Dielectric constant: 5.8 · 5.8(20℃)
InChI: 1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKey: BTUGGGLMQBJCBN-UHFFFAOYSA-N
SMILES: CC(C)CI
CAS データベース: 513 · 513-38-2(CAS DataBase Reference)
NISTの化学物質情報: 1 · Propane, 1-iodo-2-methyl-(513-38-2)
EPAの化学物質情報: 1 · Propane, 1-iodo-2-methyl- (513-38-2)

化学的性質

化学的特性clear colorless to light orange liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): 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, P316, 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

DOT LabelFlammable Liquid

Fire HazardsExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Health HazardsExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Reactive GroupHalogenated Organic Compounds

Reactivity AlertsHighly Flammable

Reactivity ProfileIODOMETHYLPROPANE is incompatible with strong oxidizing and reducing agents. Also incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

安全と保護具

Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

First AidExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Isolation and EvacuationExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Personal Protective Equipment (PPE)Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

安全データ

F: 8-10-23
wgk: 3
tsca: TSCA listed
rtecs: TZ4250000
ridadr: UN 2391 3/PG 2
hs_code: 29033080
risk_code: 11-36/37/38-20-53
安衛法: 57,57-2
消防法: 危-4-1-II
hazard_code: F,Xi,Xn
safety_code: 16-26-36-9-33
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 3 InhalationFlam. Liq. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationPropane, 1-iodo-2-methyl-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用Isobutyl iodide is a useful synthetic building block, such as its use in the palladium-catalyzed alkylation of arylpyridines with alkyl iodides.

一般的な説明A colorless liquid mixture of isomers that discolors in air. Denser than water. Flash point 30°F. Vapors are heavier than air. May be mildly toxic by inhalation. Used as a solvent and to make pharmaceuticals.

調製方法 · 1 件

純化方法Shake the iodide with conc H2SO4, and wash it with water, aqueous Na2SO3, and water, dry with MgSO4 and distil it. Alternatively, pass through a column of activated alumina before distillation. Store it under nitrogen with mercury in a brown bottle or in the dark. [Beilstein 1 IV 299.]