o-Bromocumene 分子结构式
HCID23475

o-Bromocumene

1-bromo-2-propan-2-ylbenzene

C9H11Br199.09 g/molCAS 7073-94-1

IDENTITY

结构与身份

标准SMILES
CC(C)c1ccccc1Br
InChIKey
LECYCYNAEJDSIL-UHFFFAOYSA-N
分子式
C9H11Br
平均分子量
199.09 g/mol
单同位素质量
198.00441

COMPUTED

结构计算性质

已同步
XLogP
3.9
极性表面积
0 Ų
氢键供体
0
氢键受体
0
可旋转键
1
重原子
10
形式电荷
0
复杂度
98

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 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (71.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 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. 2A (100%);STOT SE 3 (14.3%);Aquatic Chronic 2 (71.4%)

ALIASES

名称与别名

共 51 条
7073-94-11-Bromo-2-(1-methylethyl)benzeneO-BROMOCUMENEEINECS 230-370-0DTXSID80220986RefChem:855209DTXCID10143477230-370-01-Bromo-2-isopropylbenzene2-Bromocumene2-Isopropylbromobenzene1-bromo-2-propan-2-ylbenzene1-Bromo-2-IsopropYl-BenzeneCumene, o-bromo-1-bromo-2-isopropyl benzeneBenzene, 1-bromo-2-(1-methylethyl)-1-bromo-2-(propan-2-yl)benzeneMFCD000515672-BromoisopropylbenzeneCumene, 2-bromo-

REACTIONS

相关反应

31
HRID 25861 反应方程式

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06858600B2

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HRID 72619 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08828951B2

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HRID 72625 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08828951B2

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HRID 129034 反应方程式

uspto-grants-1995_11 · 10.6084/m9.figshare.5104873.v1 · US05466701

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HRID 157441 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 175916 反应方程式

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

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HRID 333481 反应方程式

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08877905B2

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HRID 456335 反应方程式

uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08497360B2

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