2-Naphthol, 1,6-dibromo- 分子结构式
HCID27768

2-Naphthol, 1,6-dibromo-

1,6-dibromonaphthalen-2-ol

C10H6Br2O301.96 g/molCAS 16239-18-2

IDENTITY

结构与身份

标准SMILES
Oc1ccc2cc(Br)ccc2c1Br
InChIKey
VKESFYLPKHQOOA-UHFFFAOYSA-N
分子式
C10H6Br2O
平均分子量
301.96 g/mol
单同位素质量
299.87854

COMPUTED

结构计算性质

已同步
XLogP
4.2
极性表面积
20.2 Ų
氢键供体
1
氢键受体
1
可旋转键
0
重原子
13
形式电荷
0
复杂度
186

PROPERTIES

实验与物化性质

来源:PubChem
Physical Description

Pink powder; [Sigma-Aldrich MSDS]

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 (97.6%): 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 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
Hazards Summary

Intraperitoneal LDLo (mouse) = 500 mg/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See 2-Naphthol.

Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (97.6%)

ALIASES

名称与别名

共 48 条
1,6-Dibromo-2-naphthol16239-18-22-Naphthalenol, 1,6-dibromo-2-NAPHTHOL, 1,6-DIBROMO-1,6-Dibromo-beta-naphtholAI3-19853NSC 9870EINECS 240-356-6BRN 20922981,6-DIBROMO-2-NAPHTHALENOLDTXSID00751001,6-Dibromonaphthalen-2-ol methanol monosolvate1,6Dibromobetanaphthol2Naphthol, 1,6dibromoRefChem:4771022Naphthalenol, 1,6dibromoDTXCID7035220240-356-61,6-dibromonaphthalen-2-ol1,6-Dibromo-2-hydroxynaphthalene

REACTIONS

参与反应

11
HRID 91899 反应方程式

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

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HRID 105451 反应方程式

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

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HRID 228527 反应方程式

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07560558B2

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HRID 725695 反应方程式

uspto-grants-1998_01 · 10.6084/m9.figshare.5104873.v1 · US05707559

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HRID 734399 反应方程式

uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07592361B2

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HRID 935395 反应方程式

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

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HRID 959076 反应方程式

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

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HRID 1035590 反应方程式

uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08546392B2

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