结构:CCCCc1ccc(Br)cc1
HCID521059

1-Bromo-4-butylbenzene

C10H13Br213.11 g/molCAS 41492-05-1

IDENTITY

结构与身份

标准 SMILES
CCCCc1ccc(Br)cc1
InChIKey
BRGVKVZXDWGJBX-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
4.4
极性表面积
0 Ų
氢键供体
0
氢键受体
0
可旋转键
3
重原子
11
形式电荷
0
复杂度
93

GHS

GHS 分类

来源:PubChem
GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.7%): 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 44 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

来源:PubChem
Regulatory Information

Status: Active Update: 09-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30315

Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2 (97.7%);STOT SE 3 (97.7%)

Skin Irrit. 2 (100%);Eye Irrit. 2A (66.7%);STOT SE 3 (33.3%);Aquatic Acute 1 (33.3%);Aquatic Chronic 1 (33.3%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Status: Active Update: 09-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30315

ALIASES

名称与别名

41
1-Bromo-4-butylbenzene41492-05-1DTXSID10334540RefChem:430620DTXCID20285630472-210-41-Bromo-4-n-Butylbenzene4-Bromo-n-butylbenzeneMFCD000409344-n-ButylbromobenzeneBenzene, 1-bromo-4-butyl-P-BROMOBUTYLBENZENE1-Bromo-4-ButYl-Benzene4-butyl-bromobenzenep-bromo-n-butylbenzene4-1-Butylbromobenzene4-(butyl)phenylbromide1-bromo-4-butyl benzene1-Bromo-4-butylbenzene #4-(But-1-yl)bromobenzene

REACTIONS

参与反应

29
HRID212994

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

作为反应物
HRID 212994 方程式

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

查看条件与参与物
HRID292073

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

作为反应物
HRID 292073 方程式

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

查看条件与参与物