HCID72933

2-Chloro-5-nitrobenzaldehyde

C7H4ClNO3185.56 g/molCAS 6361-21-3

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: O=Cc1cc([N+](=O)[O-])ccc1Cl
InChIKey: VFVHWCKUHAEDMY-UHFFFAOYSA-N
分子式: C7H4ClNO3
平均分子量: 185.56 g/mol
单同位素质量: 184.9879707

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 62.9 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 192

GHS

GHS分类

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 (85.7%): 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 7 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

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (85.7%)

USES

用途与制造

General Manufacturing Information

Benzaldehyde, 2-chloro-5-nitro-: ACTIVE

ALIASES

名称与别名

共 49 条

2-Chloro-5-nitrobenzaldehyde6361-21-3Benzaldehyde, 2-chloro-5-nitro-3-Nitro-6-chlorobenzaldehydePF4ILL0I3HEINECS 228-830-05-nitro-2-chlorobenzaldehydeNSC 129753BRN 0743764NSC-129753DTXSID80222404-07-00-00609 (Beilstein Handbook Reference)6-CHLORO-3-NITROBENZALDEHYDERefChem:469424DTXCID802240228-830-0MFCD000072932-chloro-5-nitro-benzaldehydeUNII-PF4ILL0I3HNSC129753

REACTIONS

相关反应

109 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06703387B2

查看

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

查看

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

查看

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

查看

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

查看

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

查看

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

查看

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

查看