Propanoyl bromide, 2-bromo- 分子结构式
HCID79047

Propanoyl bromide, 2-bromo-

2-bromopropanoyl bromide

C3H4Br2O215.87 g/molCAS 563-76-8

IDENTITY

结构与身份

标准SMILES
CC(Br)C(=O)Br
InChIKey
ILLHORFDXDLILE-UHFFFAOYSA-N
分子式
C3H4Br2O
平均分子量
215.87 g/mol
单同位素质量
213.86289

COMPUTED

结构计算性质

已同步
XLogP
2
极性表面积
17.1 Ų
氢键供体
0
氢键受体
1
可旋转键
1
重原子
6
形式电荷
0
复杂度
61

GHS

GHS分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

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 Categories

Acute Tox. 4 (92.3%);Skin Corr. 1B (100%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

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

USES

用途与制造

来源:PubChem
General Manufacturing Information

Propanoyl bromide, 2-bromo-: ACTIVE

ALIASES

名称与别名

共 41 条
2-Bromopropionyl bromide563-76-8Propanoyl bromide, 2-bromo-EINECS 209-261-7DTXSID00862201RefChem:869592DTXCID50810999209-261-72-Bromopropanoyl bromideMFCD00000142.alpha.-Bromopropionyl bromideBR11242-bromopropionylbromide2-bromo propionyl bromidealpha-Bromopropionyl bromide2-bromopropionic acid bromidea-bromopropionyl bromide2-bromo-propionyl bromidealpha-bromopropionylbromidealpha-Bromopropanyl bromide

REACTIONS

参与反应

212
HRID 1767 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05726323

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HRID 23021 反应方程式

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06849650B2

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HRID 24299 反应方程式

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855840B2

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HRID 34902 反应方程式

uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04764512

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HRID 64705 反应方程式

uspto-grants-1986_09 · 10.6084/m9.figshare.5104873.v1 · US04609650

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HRID 65390 反应方程式

uspto-grants-1986_09 · 10.6084/m9.figshare.5104873.v1 · US04614536

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HRID 103223 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 107366 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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