2-Bromophenylacetyl chloride 分子结构式
HCID4138386

2-Bromophenylacetyl chloride

2-(2-bromophenyl)acetyl chloride

C8H6BrClO233.49 g/molCAS 55116-09-1

IDENTITY

结构与身份

标准SMILES
O=C(Cl)Cc1ccccc1Br
InChIKey
RFPBUXOVSZEMSW-UHFFFAOYSA-N
分子式
C8H6BrClO
平均分子量
233.49 g/mol
单同位素质量
231.92906

COMPUTED

结构计算性质

已同步
XLogP
3.1
极性表面积
17.1 Ų
氢键供体
0
氢键受体
1
可旋转键
2
重原子
11
形式电荷
0
复杂度
149

GHS

GHS分类

GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): 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 39 reports by companies from 2 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

Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 22 条
2-Bromophenylacetyl chloride55116-09-1DTXSID00399784RefChem:257697DTXCID30350641628-347-92-(2-bromophenyl)acetyl Chloride2-bromophenylacetylchloride2-Bromobenzeneacetyl chloride(2-bromophenyl)acetyl chlorideo-Bromophenylacetyl chlorideo-bromphenylacetyl chloride2-bromophenylacetyl-chloride2-bromophenyl-acetyl chlorideSCHEMBL310967SCHEMBL31291159RFPBUXOVSZEMSW-UHFFFAOYSA-N2-Bromophenylacetyl chloride, 98%MFCD01863517AKOS000280365

REACTIONS

相关反应

24
HRID 232346 反应方程式

uspto-grants-1989_07 · 10.6084/m9.figshare.5104873.v1 · US04851519

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HRID 232355 反应方程式

uspto-grants-1989_07 · 10.6084/m9.figshare.5104873.v1 · US04851519

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HRID 232367 反应方程式

uspto-grants-1989_07 · 10.6084/m9.figshare.5104873.v1 · US04851519

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HRID 266171 反应方程式

uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05650427

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HRID 277051 反应方程式

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06355653B1

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HRID 289786 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 418394 反应方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093275B2

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HRID 728074 反应方程式

uspto-grants-1991_09 · 10.6084/m9.figshare.5104873.v1 · US05047422

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