结构:Brc1ccc(OCc2ccccc2)cc1
HCID138835

1-Bromo-4-phenylmethoxybenzene

C13H11BrO263.13 g/molCAS 6793-92-6

IDENTITY

结构与身份

标准 SMILES
Brc1ccc(OCc2ccccc2)cc1
InChIKey
OUQSGILAXUXMGI-UHFFFAOYSA-N
分子式
C13H11BrO
平均分子量
263.13 g/mol
单同位素质量
261.99933

COMPUTED

结构计算性质

已同步
XLogP
4.5
极性表面积
9.2 Ų
氢键供体
0
氢键受体
1
可旋转键
3
重原子
15
形式电荷
0
复杂度
169

GHS

GHS 分类

来源:PubChem
GHS Classification

Warning

H315 (15.6%): 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 45 reports by companies from 6 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: Cease Manufacture Update: 12-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21035

Hazard Classes and Categories

Skin Irrit. 2 (15.6%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Status: Cease Manufacture Update: 12-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21035

ALIASES

名称与别名

59
1-(Benzyloxy)-4-bromobenzene1-bromo-4-phenylmethoxybenzeneRefChem:430670614-179-34-Benzyloxybromobenzene6793-92-61-Benzyloxy-4-bromobenzene1-bromo-4-(phenylmethoxy)benzene1-bromo-4-benzyloxybenzene4-benzyloxy-1-bromobenzeneC13H11BrO1-benzyloxy-4-bromo-benzeneMFCD000280164-(benzyloxy)bromobenzeneBenzyl p-bromophenyl ether4-bromophenyl benzyl etherBenzyl 4-Bromophenyl EtherBenzyl4-(Bromophenyl)-ether-d4Benzene, 1-bromo-4-(phenylmethoxy)-1-Bromo-4-[(phenylmethyl)oxy]benzene

REACTIONS

参与反应

127
HRID104556

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

作为反应物
HRID 104556 方程式

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

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HRID105838

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

作为生成物
HRID 105838 方程式

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

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HRID113508

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

作为反应物
HRID 113508 方程式

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

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HRID141956

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

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HRID 141956 方程式

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

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HRID187858

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

作为反应物
HRID 187858 方程式

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

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HRID208248

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

作为反应物
HRID 208248 方程式

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

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