反应SMILES:CC(C)Cc1ccc(Br)cc1
HCID3789018

1-Bromo-4-(2-methylpropyl)benzene

C10H13Br213.11 g/molCAS 2051-99-2

IDENTITY

结构与身份

标准SMILES
CC(C)Cc1ccc(Br)cc1
InChIKey
BVBHVVRVSMBCPW-UHFFFAOYSA-N
分子式
C10H13Br
平均分子量
213.11 g/mol
单同位素质量
212.02006

COMPUTED

结构计算性质

已同步
XLogP
4.2
极性表面积
0 Ų
氢键供体
0
氢键受体
0
可旋转键
2
重原子
11
形式电荷
0
复杂度
101

GHS

GHS分类

来源:PubChem
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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

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

ALIASES

名称与别名

共 28 条
2051-99-21-bromo-4-(2-methylpropyl)benzeneRefChem:430566965-005-01-Bromo-4-isobutylbenzeneBenzene, 1-bromo-4-(2-methylpropyl)-MFCD03425886p-bromoisobutylbenzene4-isobutylbromobenzene4-bromo-isobutylbenzenepara-bromoiso-butylbenzene1-Brom-4-isobutyl-benzolSCHEMBL1437577SCHEMBL8210757SCHEMBL8734135SCHEMBL8860962SCHEMBL10439461DTXSID70396427BVBHVVRVSMBCPW-UHFFFAOYSA-NCAA05199

REACTIONS

参与反应

9
HRID206992

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

作为反应物
HRID 206992 方程式

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

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HRID217445

uspto-grants-2012_06

作为反应物
HRID 217445 方程式

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193378B2

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HRID439408

uspto-grants-1996_05

作为反应物
HRID 439408 方程式

uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05514696

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HRID961655

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 961655 方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID1388806

uspto-grants-1984_02

作为反应物
HRID 1388806 方程式

uspto-grants-1984_02 · 10.6084/m9.figshare.5104873.v1 · US04433160

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HRID1388807

uspto-grants-1984_02

作为反应物
HRID 1388807 方程式

uspto-grants-1984_02 · 10.6084/m9.figshare.5104873.v1 · US04433160

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HRID1838475

uspto-grants-2004_01

作为反应物
HRID 1838475 方程式

uspto-grants-2004_01 · 10.6084/m9.figshare.5104873.v1 · US06673824B1

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HRID1872081

uspto-grants-2000_08

作为反应物
HRID 1872081 方程式

uspto-grants-2000_08 · 10.6084/m9.figshare.5104873.v1 · US06107320

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