2,4,5-三氨基-6-羟基嘧啶硫酸盐

4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (ester)

HCID 74142CAS 1603-02-7
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基本信息

标准SMILES
Nc1nc(N)c(N)c(OS(=O)(=O)O)n1
InChIKey
DJUGBKWOBAOTFA-UHFFFAOYSA-N
分子式
C4H7N5O4S
平均分子量
221.2 g/mol
单同位素质量
221.0218747

名称与标识

首选名称
4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (ester)
IUPAC
(2,5,6-triaminopyrimidin-4-yl) hydrogen sulfate
中文名
2,4,5-三氨基-6-羟基嘧啶硫酸盐
英文名
2,5,6-Triaminopyrimidin-4-ol sulphate
分子式
C4H7N5O4S
分子量
221.19

名称与别名

2,5,6-Triaminopyrimidin-4-ol sulphate4-Pyrimidinol, 2,5,6-triamino-, monosulfateEINECS 216-500-94-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (ester)RefChem:526680216-500-91603-02-72,5,6-triaminopyrimidin-4-yl hydrogen sulfate(2,5,6-triaminopyrimidin-4-yl) hydrogen sulfate6-Hydroxy 2,4,5-Triaminopyrimidine SulfateMFCD01457351(2,5,6-TRIAMINOPYRIMIDIN-4-YL)OXIDANESULFONIC ACID
展开更多名称
叶酸杂质B 带硫酸盐2,4,5-三氨基-6-羟基嘧啶2,5,6-三氨基嘧啶-4-磺酸基2,5,6-三氨基-4-磺酸基嘧啶6-羟基-2,4,5-三氨基嘧啶硫酸酯6-羟基-2,4,5-三氨基嘧啶硫酸盐2,5,6-三氨基-4-羟基嘧啶硫酸盐2,5,6-三氨基-4-嘧啶基硫酸氢酯2,5,6-三氨基-4-羟基嘧啶硫酸酯2,4,5-三氨基-6 羟基咤啶硫酸盐6-Hydroxy-2,4,5-triaminopyrimidine sulfate2,4,5-Triamino-6-hydroxpyrimidine2,4,5- TRIAMINO -6- HYDROXY PYRIMID2,5,6-triamino-4-pyrimidinomonosulfate2,4,6-Triamino-5-hydropyrimidinesulfate4-Pyrimidinol, 2,5,6-triamino, monosulfate.2,4,5-three amino-6-hydroxy pyridine sulfate6-HYDROXY-2,4,5-TRIAMINOPYRIMIDINE SULFATE 97%
C4H7N5O4S4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (7CI); 4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (ester) (8CI,9CI)2,5,6-Triamino-4-pyrimidinyl Hydrogen SulfateT3YK834X4USCHEMBL19467887DTXSID20862708DJUGBKWOBAOTFA-UHFFFAOYSA-N97% (contains <10%ammonium salt)

数据库标识

CAS
1603-02-7
PubChem CID
74142
DTXSID
DTXSID20862708
UNII
T3YK834X4U
EC Number
216-500-9
Nikkaji
J35.421J

性质

结构计算性质

XLogP
-1.8
极性表面积
176 Ų
氢键供体
4
氢键受体
9
可旋转键
2
重原子
14

物理化学性质

熔点
300 °C · >300°C
密度
2.033 · 2.033
储存条件
2 · Keep in dark place,Inert atmosphere,2-8°C
溶解度
Aqueous Base (Sparingly)
形态
Solid
酸度系数(pKa)
4.24 · 4.24±0.10(Predicted)

化学性质

该品熔点>300℃。

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 12 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information · 2 条

Chemical: 4-Pyrimidinol, 2,5,6-triamino-, 4-(hydrogen sulfate)

4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (ester): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全数据

毒性
mouse,LDLo,parenteral,800mg/kg (800mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 694, 1955.
RTECS号
UW7175000
安全说明
26-37-36
危险品标志
Xi
危险类别码
36/37/38

化学与工业

应用领域

用途该品为维生素Bc（叶酸）的中间体。

用途用作医药中间体，用于制叶酸及嘌呤等

制备方法

生产方法由2，4-二氨基-6-羟基嘧啶经亚硝化、还原、成盐而得。

上下游产品信息

试剂价格

B21989 · 25g
2,4,5-三氨基-6-羟基嘧啶硫酸盐, 97%2,4,5-Triamino-6-hydroxypyrimidine sulfate, 97% — 430元
B21989 · 100g
2,4,5-三氨基-6-羟基嘧啶硫酸盐, 97%2,4,5-Triamino-6-hydroxypyrimidine sulfate, 97% — 890元

供应商50 家

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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