2-Ethylhexyl bromide (HCID 86804)

名称と識別子

優先名称: 2-Ethylhexyl bromide
IUPAC: 3-(bromomethyl)heptane
現地名: 1-ブロモ-2-エチルヘキサン
英語名: 2-Ethylhexyl bromide
分子式: C8H17Br
分子量: 193.12

名称と別名

2-Ethylhexyl bromide3-(Bromomethyl)heptane18908-66-21-Bromo-2-ethylhexaneHeptane, 3-(bromomethyl)-2-EthylhexylbromideMFCD000002202-Ethyl-1-hexyl bromide1398065-97-8N280JW4C4W2-Ethyl-1-hexyl Bromide; 2-Ethylhexyl Bromide; 3-(Bromomethyl)heptane3-bromomethylheptane

名称をさらに表示

1-ブロモ-2-エチルヘキサン2-エチルヘキシルブロミド3-(ブロモメチル)ヘプタン2エチルヘキシルブロマイド臭化2-エチルヘキシル臭化2‐エチルヘキシル臭化2-エチルヘキシル, 95%(2-エチルヘキシル)ブロミド2-エチルヘキシルブロマイドOCTYL BROMIDEBromoctaneBROMO ISOOCTANEISO-OCTYL BROMIDEEthylhexyl broMid1-BROMO ISO OCTANE

EINECS 242-659-92-Ethyl-bromohexane3-bromomethyl-heptane1-bromo-2 ethylhexane2-Ethylhexylhydrobromide3-(bromomethyl)-heptane1-bromo-2-ethyl hexane3-(bromo-methyl)-heptane

データベース識別子

CAS: 18908-66-2
PubChem CID: 86804
DTXSID: DTXSID80885074
UNII: N280JW4C4W
EC Number: 242-659-9
Nikkaji: J103.946F

物性

構造計算による物性

XLogP: 4.5
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: 9
形式電荷: 0
複雑度: 52.5

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesDielectric constant

Density1.086 @25 °C

Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: -55 °C · -55°C (estimate)
沸点: 75 · 75-77 °C16 mm Hg(lit.)
比重(密度): 1.086 g/mL · 1.086 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.4538(lit.)
闪点: 157 °F · 157 °F
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム、酢酸エチル
外見: 液体
比重: 1.12 · 1.12
色: 無色透明～黄色
水溶解度: 不溶性
BRN: 1098313 · 1098313
Dielectric constant: 5 · 5.0(Ambient)
InChI: 1S/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChIKey: NZWIYPLSXWYKLH-UHFFFAOYSA-N
SMILES: CCCCC(CC)CBr
CAS データベース: 18908 · 18908-66-2(CAS DataBase Reference)
NISTの化学物質情報: 3 · Heptane, 3-(bromomethyl)-(18908-66-2)
EPAの化学物質情報: 3 · Heptane, 3-(bromomethyl)- (18908-66-2)

化学的性質

化学的特性clear colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 19% (37 of 195) of reports.

Warning

H302 (55.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 195 reports by companies from 11 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

Status: Active Update: 25-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19046

3-(Bromomethyl)heptane: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryStabilized with 1% potassium carbonate; A skin and strong eye irritant; [Sigma-Aldrich MSDS] See 1-Bromohexane.

Hazard Classes and CategoriesAcute Tox. 4 (55.9%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29033036
risk_code: 36/37/38
化審法: (2)-67
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 26-36/37/39-37/39
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 InformationHeptane, 3-(bromomethyl)-: ACTIVE

応用分野

用途有機合成原料。

使用2-Ethylhexyl bromide has been used in the synthesis of:methoxy-4-(2-ethylhexyloxy)benzenephotovoltaic conjugated polymer, having benzo[1,2-b:4,5-b′]difuran building block1-bromo-4-(2′-ethylhexyloxy)benzene3