反应SMILES:O=Cc1cc(Cl)c(O)c(Cl)c1
HCID16839

3,5-Dichloro-4-hydroxybenzaldehyde

C7H4Cl2O2191.01 g/molCAS 2314-36-5

IDENTITY

结构与身份

标准SMILES
O=Cc1cc(Cl)c(O)c(Cl)c1
InChIKey
LIYGCLJYTHRBQV-UHFFFAOYSA-N
分子式
C7H4Cl2O2
平均分子量
191.01 g/mol
单同位素质量
189.9588348

COMPUTED

结构计算性质

已同步
XLogP
2.5
极性表面积
37.3 Ų
氢键供体
1
氢键受体
2
可旋转键
1
重原子
11
形式电荷
0
复杂度
139

PROPERTIES

实验与物化性质

来源:PubChem
Kovats Retention Index

1457;1463;1467;1465;1465;1476;1479;1465

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral];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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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

Chemical: Benzaldehyde, 3,5-dichloro-4-hydroxy-

Hazard Classes and Categories

Acute Tox. 4 (66.7%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: Benzaldehyde, 3,5-dichloro-4-hydroxy-

ALIASES

名称与别名

共 37 条
3,5-DICHLORO-4-HYDROXYBENZALDEHYDEDTXSID20177708NSC 31590RefChem:91472DTXCID40100199823-616-9LIYGCLJYTHRBQV-UHFFFAOYSA-N2314-36-5Benzaldehyde, 3,5-dichloro-4-hydroxy-MFCD000176053,5-Dichloro-4-hydroxy-benzaldehydeBenzaldehyde, 3,?5-?dichloro-?4-?hydroxy-Benzaldehyde,3,5-dichloro-4-hydroxy-NSC31590SCHEMBL574999SCHEMBL5148307Benzaldehyde,5-dichloro-4-hydroxy-MSK159700NSC-31590SBB013572

REACTIONS

参与反应

18
HRID155982

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

作为反应物
HRID 155982 方程式

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

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HRID359851

uspto-grants-1991_03

作为反应物
HRID 359851 方程式

uspto-grants-1991_03 · 10.6084/m9.figshare.5104873.v1 · US05002960

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HRID490851

uspto-grants-2009_05

作为反应物
HRID 490851 方程式

uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07528170B2

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HRID499858

uspto-grants-2010_08

作为反应物
HRID 499858 方程式

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07767715B2

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HRID686784

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物
HRID 686784 方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID710427

uspto-grants-2015_11

作为反应物
HRID 710427 方程式

uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09181182B2

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HRID907084

uspto-grants-2011_09

作为反应物
HRID 907084 方程式

uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08013019B2

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