反应SMILES:Nc1nc(N)c(N)c(Cl)n1
HCID500505

6-Chloropyrimidine-2,4,5-triamine

C4H6ClN5159.58 g/molCAS 1194-78-1

IDENTITY

结构与身份

标准SMILES
Nc1nc(N)c(N)c(Cl)n1
InChIKey
BMCHNFZLERXZBI-UHFFFAOYSA-N
分子式
C4H6ClN5
平均分子量
159.58 g/mol
单同位素质量
159.0311729

COMPUTED

结构计算性质

已同步
XLogP
-0.2
极性表面积
104 Ų
氢键供体
3
氢键受体
5
可旋转键
0
重原子
10
形式电荷
0
复杂度
120

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];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, P317, 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 2 reports by companies from 1 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

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

ALIASES

名称与别名

共 22 条
6-chloropyrimidine-2,4,5-triamine1194-78-1DTXSID10333331RefChem:308149DTXCID202844212,4,5-Pyrimidinetriamine, 6-chloro-2,4,5-TRIAMINO-6-CHLOROPYRIMIDINEMFCD111144486-chloro-2,4,5-PyrimidinetriamineSCHEMBL1512060SCHEMBL29419387BMCHNFZLERXZBI-UHFFFAOYSA-NAKOS006305893SB57688DS-11134SY114221DB-061569CS-0106539C71642EN300-1273031

REACTIONS

参与反应

2
HRID893607

uspto-grants-1992_06

作为反应物
HRID 893607 方程式

uspto-grants-1992_06 · 10.6084/m9.figshare.5104873.v1 · US05126345

查看
HRID2081798

uspto-grants-1993_02

作为反应物
HRID 2081798 方程式

uspto-grants-1993_02 · 10.6084/m9.figshare.5104873.v1 · US05185459

查看