Benzoyl bromide 分子结构式
HCID12056

Benzoyl bromide

C7H5BrO185.02 g/molCAS 618-32-6

IDENTITY

结构与身份

标准SMILES
O=C(Br)c1ccccc1
InChIKey
AQIHMSVIAGNIDM-UHFFFAOYSA-N
分子式
C7H5BrO
平均分子量
185.02 g/mol
单同位素质量
183.95238

COMPUTED

结构计算性质

已同步
XLogP
2.9
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
9
形式电荷
0
复杂度
105

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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

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

Hazard Classes and Categories

Skin Corr. 1B (100%);STOT SE 3 (95.2%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Benzoyl 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

Benzoyl bromide: INACTIVE

ALIASES

名称与别名

共 28 条
BENZOYL BROMIDE618-32-6E79YZ864U3DTXSID7060677RefChem:118770DTXCID1043128210-544-2benzoylbromidMFCD00000112BENZOYLBROMIDEBzBrEINECS 210-544-2Benzoyl bromide, 97%SCHEMBL151343UNII-E79YZ864U3SCHEMBL1727779SCHEMBL1727782SCHEMBL2477765AKOS009031383FS-4251

REACTIONS

参与反应

31
HRID 107147 反应方程式

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

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HRID 123668 反应方程式

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

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HRID 212692 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID 250687 反应方程式

uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07863288B2

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HRID 253469 反应方程式

uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07872018B2

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HRID 371915 反应方程式

uspto-grants-1978_05 · 10.6084/m9.figshare.5104873.v1 · US04088646

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HRID 399290 反应方程式

uspto-grants-1998_10 · 10.6084/m9.figshare.5104873.v1 · US05817851

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HRID 403917 反应方程式

uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748426B2

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