2-ヨードプロパン

Isopropyl iodide

HCID 6362CAS 75-30-9
部分構造検索類似構造を探す

基本情報

標準SMILES
CC(C)I
InChIKey
FMKOJHQHASLBPH-UHFFFAOYSA-N
分子式
C3H7I
平均分子量
169.99 g/mol
単同位体質量
169.95924822

概要

structure

名称と識別子

優先名称
Isopropyl iodide
IUPAC
2-iodopropane
現地名
2-ヨードプロパン
英語名
2-Iodopropane
分子式
C3H7I
分子量
169.99

名称と別名

2-IODOPROPANEIsopropyl iodide75-30-9Propane, 2-iodo-2-Propyl iodidesec-Propyl iodide67K05OPZ0EDTXSID4058788RefChem:792175DTXCID1047736200-859-3isopropyliodide
名称をさらに表示
2-ヨードプロパンイソプロピルヨージド1-メチルエチルヨージド1-ヨード-1-メチルエタンよう化イソプロピルヨウ化-iso-プロピル2-ヨードプロパン ヨウ化物 ヨウ化イソプロピルよう化ISO-プロピル2‐ヨードプロパン2-ヨードプロパン,ヨウ化イソプロピル2-iodo-propan2-Iodopropane OR Isopropyl Iodideiso-C3H7I2-Iodpropan2-Propyljodid2-propyliodideIsopropyliodid
2-Jodpropan2-IODO-PROPANE1-methylethyl iodideC3H7Ii-Propyl iodideMFCD000010712-Iodopropane (Stabilized with Copper)2-Jodpropan [Czech]

データベース識別子

CAS
75-30-9
PubChem CID
6362
DTXSID
DTXSID4058788
UNII
67K05OPZ0E
EC Number
200-859-3
Nikkaji
J1.450H

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
0
重原子数
4

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesCoriolis coupling
LogP2.89
Vapor Pressure43.1 [mmHg]
Physical DescriptionColorless liquid; Discolored by air and light; [Hawley] Clear faintly yellow-green liquid; May discolor on light exposure; [MSDSonline]
Collision Cross Section154 Ų [M+H]+

物理化学的性質

融点
-90 °C · -90 °C
沸点
90 °C · 90 °C
比重(密度)
1.703 g/mL · 1.703 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.498(lit.)
闪点
108 °F · 108 °F
貯蔵温度
30 °C · Store below +30°C.

化学的性質

化学的特性Colorless liquid that discolors in air and light; miscible with chloroform, ether, alcohol and benzene; slightly soluble in water.

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, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 57 reports by companies from 7 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: Propane, 2-iodo-

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

Hazards SummaryMay cause irritation; May cause skin sensitization; [MSDSonline] Search for the CAS number 75-30-9 found 3 records, none documenting skin sensitization; [PubMed]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

毒性情報

Toxicity DataLC50 (rat) = 320,000mg/m3/30min

安全データ

F
8
wgk
3
tsca
TSCA listed
rtecs
TZ4200000
ridadr
UN 2392 3/PG 3
hs_code
29033990

化学と産業

用途と製造

UsesUsed for organic synthesis; [Hawley]
General Manufacturing InformationPropane, 2-iodo-: ACTIVE

応用分野

解説2-ヨードプロパン，液体．融点－90.0 ℃，沸点89.5 ℃．d415"1.714．nD20"1.5026．有機溶剤に可溶，水に微溶．イソプロピル化剤として用いられる．森北出版「化学辞典（第2版）

使用Organic synthesis, pharmaceuticals. 2-Iodopropane (Isopropyl iodide) was used to prepare butyric and isobutyric acid.

調製方法 · 1 件

純化方法Treat the iodide with bromine, followed by extraction of free halogen with aqueous Na2S2O3 or NaHSO3, washing with water, drying (MgSO4 or CaCl2) and distilling. (The treatment with bromine is optional.) Other purification methods include passage through activated alumina, or shaking with copper powder or mercury to remove iodine, drying with P2O5 and distilling. Washing with conc H2SO4 or conc HCl (to remove any alcohol), water, aqueous Na2SO3, water and aqueous Na2CO3 has also been used. Treatment with silica gel causes some liberation of iodine. Distillations should be carried out at slightly reduced pressure. Purified isopropyl iodide is stored in the dark in the presence of a little mercury. [Beilstein 1 IV 223.]

上流・下流製品情報

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