Propanoyl bromide, 2-bromo- (HCID 79047)

名称と識別子

優先名称: Propanoyl bromide, 2-bromo-
IUPAC: 2-bromopropanoyl bromide
現地名: 2-ブロモプロピオニルブロミド
英語名: 2-Bromopropionyl bromide
分子式: C3H4Br2O
分子量: 215.87

名称と別名

2-Bromopropionyl bromide563-76-8Propanoyl bromide, 2-bromo-EINECS 209-261-7DTXSID00862201RefChem:869592DTXCID50810999209-261-72-Bromopropanoyl bromideMFCD00000142.alpha.-Bromopropionyl bromideBR1124

名称をさらに表示

2-ブロモプロピオニルブロミド2-ブロモプロピオニルブロミド2-ブロモプロピオン酸ブロミド2-ブロモプロパン酸ブロミド2-ブロモプロパノイルブロミドブロモプロピオン酸ブロマイド1,2-ジブロモ-1-プロパノンα－ブロモプロピオン酸ブロマイド2-ブロモプロパノイル＝ブロミド2-ブロモプロピオニルブロミド, 97%2-ブロモプロパノイルブロミドα-ブロモプロピオニルブロミド1,2-ジブロモプロパナールZinc022425742-BromopropionyLBroMoacety BroMide2-Brompropionylbromid-Bromopropionylbromide2-bromo-propanoylbromid1,2-Dibromo-2-propanone2-Bromopropiomyl bromide2-bromo-Propanoylbromide

2-bromopropionylbromide2-bromo propionyl bromidealpha-Bromopropionyl bromide2-bromopropionic acid bromidea-bromopropionyl bromide2-bromo-propionyl bromidealpha-bromopropionylbromidealpha-Bromopropanyl bromide

データベース識別子

CAS: 563-76-8
PubChem CID: 79047
DTXSID: DTXSID00862201
UNII: Q73SM69APS
EC Number: 209-261-7
Nikkaji: J438C

物性

構造計算による物性

XLogP: 2
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 6
形式電荷: 0
複雑度: 61

物理化学的性質

沸点: 48 · 48-50 °C/10 mmHg (lit.)
比重(密度): 2.061 g/mL · 2.061 g/mL at 25 °C (lit.)
蒸気密度: 7.5 · 7.5 (vs air)
蒸気圧: 1.3 mm · 1.3 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.518(lit.)
闪点: 230 °F · >230 °F
溶解性: トリクロロメタン、ジエチルエーテル、ベンゼン、アセトンと混和します。
外見: clear liquid
比重: 2.061 · 2.061
色: Colorless to Light yellow to Light orange
BRN: 1071331 · 1071331
安定性: Moisture Sensitive
InChI: 1S/C3H4Br2O/c1-2(4)3(5)6/h2H,1H3
InChIKey: ILLHORFDXDLILE-UHFFFAOYSA-N
SMILES: CC(Br)C(Br)=O
LogP: 0.38 at · 0.38 at 25℃
CAS データベース: 563 · 563-76-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Bromopropionyl bromide(563-76-8)
EPAの化学物質情報: 2 · Propanoyl bromide, 2-bromo- (563-76-8)

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

Danger

H302 (92.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 5 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 Information · 3 件

Chemical: Propanoyl bromide, 2-bromo-

Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17088

2-Bromopropionyl bromide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (92.3%)；Skin Corr. 1B (100%)

法規制情報

Regulatory Information · 3 件

Chemical: Propanoyl bromide, 2-bromo-

Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17088

2-Bromopropionyl bromide: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 22-34
化審法: (2)-1168
消防法: 危-4-3-III
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing InformationPropanoyl bromide, 2-bromo-: ACTIVE

応用分野 · 1 件

使用2-Bromopropionyl bromide is used in the preparation of cellulose macroinitiator through direct acylation of cellulose in ionic liquid 1-allyl-3-methylimidazolium chloride. It is also used to prepare 3-(2-bromopropionyl)-2-oxazolidone derivatives and bromoester terminated poly(3-hexylthiophene). Further, it is used as a macroinitiator for atom transfer radical polymerization of acrylates.