CAS 2050-77-3 1-Iododecane (HCID 16314)

名称と識別子

優先名称: 1-Iododecane
IUPAC: 1-iododecane
現地名: 1-ヨードデカン
英語名: 1-IODODECANE
分子式: C10H21I
分子量: 268.18

名称と別名

1-IODODECANEDecane, 1-iodo-Decyl iodiden-Decyl iodide1-Decyl iodideEINECS 218-104-11-Iod0decaneDTXSID9062142Decane, 1iodoRefChem:76095DTXCID2036322218-104-1

名称をさらに表示

1-ヨードデカンデシルヨージド10-ヨードデカン1‐ヨードデカンよう化デシル1-iodo-1-dodecane1-iodo-decanDECYL IODILE10-Iododecane1-DecyliodideDecane,1-iodo-

SKIDNYUZJPMKFC-UHFFFAOYSA-N2050-77-31-iodo-decaneMFCD00001085C10H21I1-Decyl Iodide; Decyl Iodide; n-Decyl Iodide;iododecane1-LODODECANE

データベース識別子

CAS: 2050-77-3
PubChem CID: 16314
DTXSID: DTXSID9062142
EC Number: 218-104-1
Nikkaji: J236.232E

物性

構造計算による物性

XLogP: 6.3
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: 8
重原子数: 11
形式電荷: 0
複雑度: 61

実験および物理化学的性質

Vapor Pressure0.01 [mmHg]

Physical DescriptionColorless or yellow liquid; [Alfa Aesar MSDS]

Kovats Retention Index · 3 件

1433

1705；1706；1734

物理化学的性質

融点: -16 ℃ · -16℃
沸点: 132 °C/15 · 132 °C/15 mmHg (lit.)
比重(密度): 1.257 g/mL · 1.257 g/mL at 25 °C (lit.)
蒸気密度: 5 · >5 (vs air)
蒸気圧: 0.01 mm · 0.01 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.485(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: 液体
色: 無色透明
水溶解度: 水と混和しない。
BRN: 1735228 · 1735228
InChI: 1S/C10H21I/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
InChIKey: SKIDNYUZJPMKFC-UHFFFAOYSA-N
SMILES: CCCCCCCCCCI
CAS データベース: 2050 · 2050-77-3(CAS DataBase Reference)
EPAの化学物質情報: 1 · Decane, 1-iodo- (2050-77-3)

化学的性質

化学的特性CLEAR LIGHT YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (80.9%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, 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 47 reports by companies from 7 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

Hazards SummaryIntraperitoneal LD50 (mouse) = 4,550 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)；Eye Irrit. 2 (100%)；STOT SE 3 (87.2%)；Aquatic Chronic 4 (80.9%)

安全データ

F: 8-10
wgk: 3
tsca: TSCA listed
rtecs: HD8705000
hs_code: 29033990
risk_code: 36/37/38
安衛法: 57,57-2
消防法: 危-4-3-III
hazard_code: Xi,F
hazard_note: Irritant/Flammable
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationDecane, 1-iodo-: ACTIVE

応用分野

使用1-Iododecane is used as a precursor to prepare 9-nonadecanone through palladium-catalyzed carbonylative cross-coupling reaction with 9-octyl-9-borabicyclo[3.3.l]nonane. It is also used as an intermediate in organic synthesis.

一般的な説明Electrochemical reduction of 1-iododecane at mercury cathodes in DMF containing tetra-n-butylammonium perchlorate or tetramethyl ammonium perchlorate (supporting electrolyte) has been investigated.