1-Acetoxy-2-bromoethane (HCID 13564)

名称と識別子

優先名称: 1-Acetoxy-2-bromoethane
IUPAC: 2-bromoethyl acetate
現地名: 酢酸 2-ブロモエチル
英語名: 2-Bromoethyl acetate
分子式: C4H7BrO2
分子量: 167

名称と別名

2-BROMOETHYL ACETATE927-68-4Bromoethyl acetate1-Acetoxy-2-bromoethane2-Bromoethylacetate1-Bromo-2-acetoxyethaneEthanol, 2-bromo-, acetateAcetic Acid 2-Bromoethyl Ester2-acetoxyethyl bromide2-bromoethanol acetateEthanol, 2-bromo-, 1-acetateNSC 7079

名称をさらに表示

酢酸 2-ブロモエチル2-ブロモエチル=アセタート1-アセトキシ-2-ブロモエタンβ-ブロモエチルアセタート酢酸2-ブロモエチル酢酸2ブロモエチルエステル酢酸2‐ブロモエチル2-ブロモエチルアセタートbromoethylacetate2-bromo-ethanoacetate1-ACETYL-2-BROMOETHANE2-BromoethylAcetate97%2-bromoethyl ethanoateBETA-BROMOETHYL ACETATE

EINECS 213-159-8NRZ256O7QBBRN 1743110NSC-7079BROMOETHYL ACETATE, 2-DTXSID70878738RefChem:428951DTXCID401016777

データベース識別子

CAS: 927-68-4
PubChem CID: 13564
DTXSID: DTXSID70878738
ChEMBL: CHEMBL42088
UNII: NRZ256O7QB
EC Number: 213-159-8
Nikkaji: J1.743D

物性

構造計算による物性

XLogP: 0.9
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 7
形式電荷: 0
複雑度: 62

実験および物理化学的性質

Kovats Retention Index882

物理化学的性質

融点: -14 · -14--13.8 °C (lit.)
沸点: 159 °C · 159 °C (lit.)
比重(密度): 1.514 g/mL · 1.514 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.455(lit.)
闪点: 160 °F · 160 °F
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: Chloroform, Ethanol (Very Slightly)
外見: 液体
色: 無色透明～黄色
比重: 1.52 · 1.52
BRN: 1743110 · 1743110
InChI: 1S/C4H7BrO2/c1-4(6)7-3-2-5/h2-3H2,1H3
InChIKey: RGHQKFQZGLKBCF-UHFFFAOYSA-N
SMILES: CC(=O)OCCBr
CAS データベース: 927 · 927-68-4(CAS DataBase Reference)
NISTの化学物質情報: 2 · Ethanol, 2-bromo-, acetate(927-68-4)
EPAの化学物質情報: 2 · Ethanol, 2-bromo-, acetate (927-68-4)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.3%): 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

Regulatory InformationChemical: Ethanol, 2-bromo-, acetate

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)；Eye Irrit. 2 (97.7%)；STOT SE 3 (95.3%)

法規制情報

Regulatory InformationChemical: Ethanol, 2-bromo-, acetate

安全データ

F: 19
wgk: 3
tsca: TSCA listed
rtecs: KJ8227000
ridadr: 1760
hs_code: 29159000
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26
hazard_class: 8
packing_group: III
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 InformationEthanol, 2-bromo-, 1-acetate: INACTIVE

応用分野

用途有機合成原料。

使用2-Bromoethyl acetate was used as alkylating reagent during asymmetric total synthesis of (+)-1-deoxylycorine and (+)-lycorine.

上流・下流製品情報

下流製品

2-Acetoxyethylboronic acid pinacol ester

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

酢酸 2-ブロモエチル

基本情報