1-ヨードプロパン

1-Iodopropane

HCID 33643CAS 107-08-4

基本情報

標準SMILES: CCCI
InChIKey: PVWOIHVRPOBWPI-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

Iodopropanes appears as a colorless liquid that discolors in air. Denser than water. The 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: 1-Iodopropane
IUPAC: 1-iodopropane
現地名: 1-ヨードプロパン
英語名: 1-Iodopropane
分子式: C3H7I
分子量: 169.99

名称と別名

1-IODOPROPANE107-08-4Propyl iodidePropane, 1-iodo-ND3629KE2KDTXSID501015653RefChem:869737DTXCID3037595203-460-2n-Propyl iodidePropane, iodo-1-iodo-propane

名称をさらに表示

1-ヨードプロパンよう化プロピルプロピルヨージドn-プロピルヨージドよう化n-プロピルヨウ化-n-プロピル1-ヨードプロパンヨウ化プロピルヨウ化物1‐ヨードプロパンn-C3H7IPropyljodid1-Iodpropanen-Propyliodid1-iodo-propanproopyl iodide

IODOPROPANE1-Jodpropan26914-02-3MFCD00001095PROPYLIODIDE1-Jodpropan [Czech]Propane Iodide; Propyl Iodide; n-Propyl Iodideiodopropan

データベース識別子

CAS: 107-08-4、26914-02-3
PubChem CID: 33643
DTXSID: DTXSID501015653
UNII: ND3629KE2K
EC Number: 203-460-2
Nikkaji: J4.051G

物性

構造計算による物性

XLogP: 2.6
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: 4
形式電荷: 0
複雑度: 7.2

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Halogenated Aliphatics, Saturated

Flammable agents - 2nd degree

SpringerMaterials PropertiesCoriolis coupling

LogP2.54

Vapor Pressure43.1 [mmHg]

Physical Description · 2 件

Iodopropanes appears as a colorless liquid that discolors in air. Denser than water. The vapors are heavier than air. May be mildly toxic by inhalation. Used as a solvent and to make pharmaceuticals.

Colorless or yellowish liquid; [Merck Index]

物理化学的性質

融点: -101 °C · -101 °C
沸点: 101 · 101-102 °C(lit.)
比重(密度): 1.743 g/mL · 1.743 g/mL at 25 °C(lit.)
蒸気圧: 43 mm · 43 mm Hg ( 25 °C)
屈折率: 20 · n20/D 1.504(lit.)
闪点: 112 °F · 112 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 1.1 g/リットル · 1.1g/リットル
外見: 液体
色: 無色透明～黄色
水溶解度: 水に完全に混和します。
Merck: 14 · 14,7862
BRN: 505937 · 505937
Henry's Law Constant: (x 10-3 atmm3/mol): 9.09 at 25 °C (Hine and Mookerjee, 1975)
Dielectric constant: 7.09 · 7.0899999999999999
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。強酸化剤および強塩基とは相容れない。可燃性。
InChI: 1S/C3H7I/c1-2-3-4/h2-3H2,1H3
InChIKey: PVWOIHVRPOBWPI-UHFFFAOYSA-N
SMILES: CCCI
CAS データベース: 107 · 107-08-4(CAS DataBase Reference)
NISTの化学物質情報: 1 · Propane, 1-iodo-(107-08-4)
EPAの化学物質情報: 1 · Propane, 1-iodo- (107-08-4)

化学的性質

化学的特性colourless 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, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, 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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Propane, 1-iodo-

Status: Active Update: 01-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22093

1-Iodopropane: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

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)]:

Hazards SummaryAn irritant; Harmful by inhalation; [Alfa Aesar MSDS]

Reactive GroupHalogenated Organic Compounds

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)]:

毒性情報

Toxicity DataLC50 (rat) = 73,000 mg/m3/30min

安全データ

F: 8
wgk: 3
tsca: TSCA listed
rtecs: TZ4100000
ridadr: UN 2392 (IODOPROPANES)
毒性: LD50 (inhalation) for rats 73,000 mg/m3/30-min (quoted, RTECS, 1985).
hs_code: 29033080
risk_code: 10-20-36/37/38-52/53-2017/10/20
安衛法: 57,57-2
消防法: 危-4-2-III
hazard_code: Xn,Xi,N
hazard_note: Irritant
safety_code: 16-26-36/37-61
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 4 InhalationAquatic Chronic 1Carc. 2Eye Irrit. 2Flam. Liq. 3Muta. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

薬理情報

Metabolism/Metabolites1-iodopropane has known human metabolites that include propyl-glutathione.

用途と製造

General Manufacturing InformationPropane, 1-iodo-: ACTIVE

応用分野 · 2 件

用途プロピル化剤や医薬品，工業用原料

使用1-Iodopropane is used in wide range of medicals industrial applications as well as in human and animal nutrition products, pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals. Iodine derivatives are also used as organic building blocks, analytical reagents etc. It is also used as a solvent and intermediate of organic synthesis.

調製方法 · 2 件

合成方法乾燥した1-プロパノールにヨウ素とリンを作用させて製造される

純化方法It should be distilled first under reduced pressure to avoid decomposition. Dry the iodide with MgSO4 or silica gel and fractionally distil it. Store it under nitrogen with mercury in a brown bottle. Prior to distillation, free iodine can be removed by shaking with copper powder or by washing with aqueous Na2S2O3 and drying. Alternatively, the n-propyl iodide can be treated with bromine, then washed with aqueous Na2S2O3, dried and distilled. See also n-butyl iodide. [Beilstein 1 IV 222.]