HCID160793

1-Chlorophthalazine

C8H5ClN2164.59 g/molCAS 5784-45-2

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: Clc1nncc2ccccc12
InChIKey: UCOVESIAFFGEOR-UHFFFAOYSA-N
分子式: C8H5ClN2
平均分子量: 164.59 g/mol
单同位素质量: 164.0141259

COMPUTED

结构计算性质

已同步

XLogP: 2.1
极性表面积: 25.8 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 140

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 36 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

Hazard Classes and Categories

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

ALIASES

名称与别名

共 41 条

1-Chlorophthalazine5784-45-2Phthalazine, 1-chloro-1-Chloro-phthalazineCCRIS 7361I1IE9W0S0CNSC-71104UNII-I1IE9W0S0CDTXSID20206547NSC 711041-CHLOROPHTHALAZINE [USP IMPURITY]1-CHLOROPHTHALAZINE (USP IMPURITY)RefChem:75462DTXCID50129038676-559-5MFCD00024141chlorophthalazine1chlorophthalazine1-chlorophthalazinNSC71104

REACTIONS

参与反应

27 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06710047B2

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 (8/10) · 10.1039/C8SC04228D

查看

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

查看

uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07531653B2

查看

uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07531653B2

查看

uspto-grants-1989_04 · 10.6084/m9.figshare.5104873.v1 · US04824846

查看

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

查看