结构:COc1ccc(C=O)cc1Cl
HCID78619

3-Chloro-4-methoxybenzaldehyde

C8H7ClO2170.59 g/molCAS 4903-09-7

IDENTITY

结构与身份

标准 SMILES
COc1ccc(C=O)cc1Cl
InChIKey
WYVGYYIZXPXHAZ-UHFFFAOYSA-N
分子式
C8H7ClO2
平均分子量
170.59 g/mol
单同位素质量
170.0134572

COMPUTED

结构计算性质

已同步
XLogP
2.2
极性表面积
26.3 Ų
氢键供体
0
氢键受体
2
可旋转键
2
重原子
11
形式电荷
0
复杂度
138

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)

Aggregated GHS information provided per 6 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
Hazard Classes and Categories

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

ALIASES

名称与别名

32
3-Chloro-4-methoxybenzaldehyde4903-09-73-ChloroanisaldehydeDTXSID50197671RefChem:911242DTXCID10120162225-532-23-Chloro-p-anisaldehydeBenzaldehyde, 3-chloro-4-methoxy-3-Chloro-anisaldehydeMFCD000166013-Chloro-4-methoxy-benzaldehydeSCHEMBL335717SCHEMBL5541711SCHEMBL29952908CHEBI:200810EINECS 225-532-2CL8902SBB003854STK198720

REACTIONS

参与反应

42
HRID139110

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

作为反应物
HRID 139110 方程式

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

查看条件与参与物
HRID300422

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

作为反应物
HRID 300422 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