8-Bromooct-1-ene (HCID 75907)

名称と識別子

優先名称: 8-Bromooct-1-ene
IUPAC: 8-bromooct-1-ene
現地名: 8-ブロモ-1-オクテン
英語名: 8-Bromo-1-octene
分子式: C8H15Br
分子量: 191.11

名称と別名

8-Bromo-1-octene2695-48-98-Bromooct-1-eneEINECS 220-268-4SNMOMUYLFLGQQS-UHFFFAOYSA-DTXSID30181437RefChem:547856DTXCID40103928220-268-4InChI=1/C8H15Br/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H21-Octene, 8-bromo-MFCD00000275

名称をさらに表示

8-ブロモ-1-オクテン7-オクテニルブロミド8-ブロモオクト-1-エン8-ブロモオクタ-1-エン1-ブロモ-7-オクテンDK712bromo-8 octene-18-Bromo-1-octene 97%8-Bromooct-1-ene 98%8- Bromine-1- octene8-Bromo-1-octene >

7-Octenyl Bromide8-bromoocteneE79E33RNF78-bromo-oct-1-eneCH2=CH(CH2)6BrUNII-E79E33RNF78-Bromo-1-octene, 97%SCHEMBL346392

データベース識別子

CAS: 2695-48-9
PubChem CID: 75907
DTXSID: DTXSID30181437
UNII: E79E33RNF7
EC Number: 220-268-4
Nikkaji: J192.202E

物性

構造計算による物性

XLogP: 3.9
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: 6
重原子数: 9
形式電荷: 0
複雑度: 59

実験および物理化学的性質

Kovats Retention Index · 2 件

1121

1455

物理化学的性質

沸点: 198 · 198-199°
比重(密度): 1.139 g/mL · 1.139 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.467(lit.)
闪点: 78 °C · 78°C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
溶解性: クロロホルム、酢酸エチル
外見: 液体
色: 淡い黄色
BRN: 2234481 · 2234481
InChI: 1S/C8H15Br/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H2
InChIKey: SNMOMUYLFLGQQS-UHFFFAOYSA-N
SMILES: BrCCCCCCC=C
NISTの化学物質情報: 8 · 8-Bromo-1-octene(2695-48-9)

化学的性質

化学的特性Light yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 6 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

安全データ

wgk: 3
hs_code: 29033990
risk_code: 36/37/38
化審法: (2)-67
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
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

応用分野 · 1 件

使用8-Bromo-1-octene has been used in preparation of polymerizable ligand, required for the synthesis of quantum dot-labeled polymer beads. Grignard reagent derived from 8-bromo-1-octene has been used in the synthesis of (2S,3S,5R)-5-[(1R)-1-hydroxy-9-decenyl]-2-pentyltetrahydro-3-furanol. It has been used as building block in natural product synthesis. Also used for the synthesis of more complex pharmaceutical compounds, such as Dithienogermole (DTG) derivatives with varying alkyl chain lengths and pendant functionalities.