1-Iodohexadecane (HCID 11007)

概要

1-iodohexadecane has been reported in Vernonanthura patens with data available.

名称と識別子

優先名称: 1-Iodohexadecane
IUPAC: 1-iodohexadecane
現地名: 1-ヨードヘキサデカン
英語名: 1-Iodohexadecane
分子式: C16H33I
分子量: 352.34

名称と別名

1-IODOHEXADECANE544-77-4Hexadecane, 1-iodo-JO95X48M8ODTXSID0049317DTXCID9029273RefChem:433278208-879-4Cetyl iodideHexadecyl iodide1-iodo-hexadecane40474-98-4

名称をさらに表示

1-ヨードヘキサデカンよう化セチルよう化n-ヘキサデシルヘキサデシルヨージドn-ヘキサデシルヨージドセチルヨージド1-Jodhexadecan1-iodo-hexadecan1-HexadecyljodidHexadecane,1-iodo-1-Iodohexadecane>1-Iodohexadecane,95%

UNII-JO95X48M8OMFCD00001089EINECS 208-879-4Hexadecane, iodo-n-Hexadecyl iodide1-Iodohexadecane; Cetyl iodide; Hexadecyl iodideiodohexadecaneCetyljodid

データベース識別子

CAS: 40474-98-4、544-77-4
PubChem CID: 11007
DTXSID: DTXSID0049317
ChEMBL: CHEMBL1233571
UNII: JO95X48M8O
EC Number: 208-879-4
Nikkaji: J95.915D

物性

構造計算による物性

XLogP: 9.6
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: 14
重原子数: 17
形式電荷: 0
複雑度: 123

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless or pale yellow liquid or melt; mp = 21-23 deg C; [Alfa Aesar MSDS]

物理化学的性質

融点: 21 · 21-23 °C(lit.)
沸点: 206 · 206-207 °C10 mm Hg(lit.)
比重(密度): 1.121 g/mL · 1.121 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.4806(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · Keep in dark place,Sealed in dry,2-8°C
溶解性: 0.02 μg/l · 0.02 μg/l 実質的に不溶
外見: powder to lump to clear liquid
色: White or Colorless to Yellow
水溶解度: 水に不溶。
Dielectric constant: 3.3 · 3.3(20℃)
安定性: 安定していますが、光に敏感です。強塩基、強酸化剤とは相容れない。
InChI: 1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
InChIKey: KMWHQYDMBYABKL-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCI
CAS データベース: 544 · 544-77-4(CAS DataBase Reference)
EPAの化学物質情報: 1 · Hexadecane, 1-iodo- (544-77-4)

化学的性質

化学的特性colourless liquid, may discolour in light

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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: Hexadecane, 1-iodo-

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

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Hexadecane.

Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9 / PGIII
hs_code: 29033990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationHexadecane, 1-iodo-: ACTIVE

応用分野

使用1-Iodohexadecane, is used as an ionic liquid for electrochemical applications. It is also used in detection methods as primer and probe design instrumentation applications guide in qPCR Technic.