1-Iodoheptane (HCID 20274)

名称と識別子

優先名称: 1-Iodoheptane
IUPAC: 1-iodoheptane
現地名: 1-ヨードヘプタン
英語名: 1-Iodoheptane
分子式: C7H15I
分子量: 226.1

名称と別名

1-IODOHEPTANEHeptane, 1-iodo-1-IodomeptaneNSC 7316EINECS 224-285-8DTXSID2063393nHeptyl iodideHeptane, 1iodoRefChem:76097DTXCID6040167224-285-8InChI=1/C7H15I/c1-2-3-4-5-6-7-8/h2-7H2,1H

名称をさらに表示

1-ヨードヘプタンn-ヘプチルヨージドヘプチルヨージドよう化n-ヘプチル1-ヨードヘプタン, 98%, STAB. WITH COPPERSKL13701-JodheptanHeptyljodid1-IodohptaneI-Iodoheptane1-iodo-heptan

LMHCYRULPLGEEZ-UHFFFAOYSA-N4282-40-0Heptyl iodiden-Heptyl iodide1-iodo-heptaneC7H15IMFCD00001104iodoheptane

データベース識別子

CAS: 4282-40-0
PubChem CID: 20274
DTXSID: DTXSID2063393
EC Number: 224-285-8
Nikkaji: J29.176E

物性

構造計算による物性

XLogP: 4.7
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: 5
重原子数: 8
形式電荷: 0
複雑度: 35.4

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

LogP4.7

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: -48 °C · -48 °C (lit.)
沸点: 204 °C · 204 °C (lit.)
比重(密度): 1.379 g/mL · 1.379 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.490(lit.)
闪点: 174 °F · 174 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: ベンゼン：混和性（点灯）
外見: clear liquid
色: Colorless to Brown
比重: 1.379 · 1.379
水溶解度: 混和しない
BRN: 1697161 · 1697161
Henry's Law Constant: 2.6 · 2.6×10-4 mol/(m3Pa) at 25℃, Abraham (1984)
Dielectric constant: 4.9 · 4.9(22℃)
InChI: 1S/C7H15I/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKey: LMHCYRULPLGEEZ-UHFFFAOYSA-N
SMILES: CCCCCCCI
CAS データベース: 4282 · 4282-40-0(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Iodoheptane(4282-40-0)
EPAの化学物質情報: 1 · Heptane, 1-iodo- (4282-40-0)

化学的性質

化学的特性It is a clear, colorless to pale yellow-orange liquid. It is not soluble in water but dissolves readily in ethanol, ether, acetone, and chloroform. If exposed to light or stored for a long time, it may become discolored.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 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

Regulatory InformationHeptane, 1-iodo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 780 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Ethyl iodide.

Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)

安全データ

F: 8
wgk: 3
tsca: TSCA listed
rtecs: MJ1050000
hs_code: 29033080
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

Metabolism/Metabolites1-iodoheptane has known human metabolites that include heptyl-glutathione.

用途と製造

General Manufacturing InformationHeptane, 1-iodo-: INACTIVE

応用分野

用途有機合成原料。

使用1-Iodoheptane is used in the functionalization of symmetrical star-shaped molecules with carborane clusters.

上流・下流製品情報

上流原料

下流製品

2-メチルデカナールテトラ-n-ヘプチルアンモニウムヨージドデカンアミド

サプライヤー50 社

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湖北万得化工有限公司15377098680 15377098680 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

1-ヨードヘプタン

基本情報