2-Iodo-2-methylpropane (HCID 11206)

名称と識別子

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

名称と別名

tert-Butyl iodide2-Iodo-2-methylpropaneTrimethyliodomethanePROPANE, 2-IODO-2-METHYL-t-butyl iodideUNII-E5HY19G10PEINECS 209-190-1E5HY19G10P2-methyl-2-iodopropaneBRN 0505950tert-C4H9I1,1-dimethylethyl iodide

名称をさらに表示

2-ヨード-2-メチルプロパン2-メチル-2-ヨードプロパンよう化tert-ブチルよう化t-ブチル1,1-ジメチル-1-ヨードエタンtert-ブチルヨージド1-ヨード-1,1-ジメチルエタン2-ヨード-2-メチルプロパン, 97%2-Iodoisobutanetert.-Butyljodid2-Jod-2-methylpropan2-iodo-2-methyl-propan

4-01-00-00300 (Beilstein Handbook Reference)BUTYL IODIDE, TERT-DTXSID3060328RefChem:87649DTXCID2041969ANGGPYSFTXVERY-UHFFFAOYSA-NInChI=1/C4H9I/c1-4(2,3)5/h1-3H558-17-8

データベース識別子

CAS: 558-17-8
PubChem CID: 11206
DTXSID: DTXSID3060328
UNII: E5HY19G10P
EC Number: 209-190-1
Nikkaji: J2.668I

物性

構造計算による物性

XLogP: 2.7
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: 0
重原子数: 5
形式電荷: 0
複雑度: 25

実験および物理化学的性質

Kovats Retention Index · 2 件

698.1；698

686；694；699；715；694.5

物理化学的性質

融点: 38 °C · −38 °C(lit.)
沸点: 99 · 99-100 °C(lit.)
比重(密度): 1.544 g/mL · 1.544 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.491(lit.)
闪点: 46 °F · 46 °F
貯蔵温度: 2 · 2-8°C
溶解性: エタノールおよびエーテルと混和します。
外見: clear liquid to cloudy liquid
色: Colorless to Light yellow to Light orange
BRN: 505950 · 505950
Dielectric constant: 8.42 · 8.4199999999999999
安定性: 安定していますが、光にさらされると変色することがあります。とても燃えやすい。強塩基および強酸化剤とは相容れない。
InChI: 1S/C4H9I/c1-4(2,3)5/h1-3H3
InChIKey: ANGGPYSFTXVERY-UHFFFAOYSA-N
SMILES: CC(C)(C)I
CAS データベース: 558 · 558-17-8(CAS DataBase Reference)
EPAの化学物質情報: 2 · Propane, 2-iodo-2-methyl- (558-17-8)

化学的性質

化学的特性deep brown liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (88.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (95.6%)；Aquatic Acute 1 (88.9%)

安全データ

F: 8-10-23
wgk: 3
tsca: TSCA listed
rtecs: TZ4251000
ridadr: UN 2391 3/PG 2
hs_code: 29033990
risk_code: 11-36/37/38-53
消防法: 危-4-1-II
hazard_code: F,Xi
safety_code: 16-26-36
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Flam. Liq. 2Skin Irrit. 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, 2-iodo-2-methyl-: INACTIVE

応用分野

使用2-Iodo-2-methylpropane is used as a chemical reagent in organic synthesis. Further, it serves as a pharmaceutical intermediate.

一般的な説明2-Iodo-2-methylpropane was degraded by reductive dehalogenation with nickel-aluminum alloy in potassium hydroxide solution.

調製方法 · 1 件

純化方法Vacuum distillation has been used to obtain a distillate which remained colourless for several weeks at -5o. More extensive treatment has been used by Boggs, Thompson and Crain [J Phys Chem 61 625 1957] who washed with aqueous NaHSO3 solution to remove free iodine, dried this for 1hour over Na2SO3 at 0o, and purified it by four or five successive partial freezings of the liquid to obtain colourless material and was stored at -78o with Ag wool. [Beilstein 1 IV 300.]

上流・下流製品情報

下流製品

2-tert-ブチル-1-シクロヘキサノン 2-tert-ブチルベンゾニトリル 2,2,3,3-テトラメチルブタンネオペンチルベンゼン 4-tert-ブチルフタロニトリル 1-(4-methoxyphenyl)-2,2-dimethyl-propan-1-one

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2-ヨード-2-メチルプロパン

基本情報