2,4,6-Triaminopyrimidine 2,4,6-三氨基嘧啶

CAS 1004-38-2 MFCD00006100

化学结构图

1004-38-2
SMILES: Nc1cc(N)nc(N)n1

化学属性

Mol. FormulaC4H7N5
Mol. Weight125.13
Melting Point249-251°C
TSCAYes
Solubility36.5 G/L (20 ºC)
Boiling Point222.58 °C at 760 mmHg

别名和识别编码

Chemical Name2,4,6-Triaminopyrimidine
CAS Number1004-38-2
Alfabeta NameTRIAMINOPYRIMIDINE 246-,,
MDL NumberMFCD00006100
Synonym 2,4,6-Triaminopyrimidine {LY} 2,4,6-Triaminopyrimidine {} {LY} 2,4,6-Triaminopyrimidine {} {} {LY} 2,4,6-Triaminopyrimidine {} {} {} {LY} 2,4,6-Triaminopyrimidine {} {} {} {} {LY} 2,4,6-Triaminopyrimidine {} {} {} {} {} {LY} 2,4,6-Triaminopyrimidine {} {} {} {} {} {} {LY} 2,4,6-Triaminopyrimidine {} {} {} {} {} {} {} {LY} 2,4,6-Triaminopyrimidine {} {} {} {} {} {} {} {} {LY} 2,4,6-Triaminopyrimidine {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Triaminopyrimidine {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Triaminopyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Triaminopyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Triaminopyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Triaminopyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Triaminopyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Triaminopyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {
Beilstein Registry Number118448
EC Number213-720-7
PubChem Substance ID87576670
Reaxys-RN118448
Chemical Name Translation2,4,6-三氨基嘧啶
InChIKeyJTTIOYHBNXDJOD-UHFFFAOYSA-N
LabNetwork Molecule IDLN00173509
InChIInChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)
Canonical SMILESNC1=CC(N)=NC(N)=N1
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分类

  • {SNA} Building Blocks, C4 to C5, Chemical Synthesis, Heterocyclic Building Blocks, Pyrimidines
  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 6RingOnly; 6ring; 1fragment

产品应用

  • 该品是药物氨苯喋啶和氨喋呤的中间体。

相关文献及参考

  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings IRRITANT
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
WGK Germany3
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Hazard Codes Xi
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 外观:柱状结晶（白色晶体粉末）
  • 2,4,6-三氨基嘧啶价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0834 2,4,6-三氨基嘧啶 2,4,6-Triaminopyrimidine 25G 555元 2014/06/02 T0834 2,4,6-三氨基嘧啶 2,4,6-Triaminopyrimidine 500G 4560元 2010/06/21 139250250 2,4,6-三氨基嘧啶 2,4,6-Triaminopyrimidine 97% 25 GR 688元
  • MOL 文件:1004-38-2.mol
  • 用途二:该品是药物氨苯喋啶和氨喋呤的中间体。
  • Sigma Aldrich:1004-38-2(sigmaaldrich)
  • 方法一:由氰乙酸乙酯经氨化生成氰乙酰胺，再经消除反应得到丙二腈，最后经环合制得2,4,6-三氨基嘧啶。
  • 检测方法:HPLC
  • MSDS 信息:2,4,6-Pyrimidinetriamine(1004-38-2).msds
  • 上游原料:氰乙酸乙酯 --> 丙二腈 --> 氰乙酰胺
  • 下游产品:2,4,7-三氨基-6-苯基蝶啶 --> 2,4,5,6-四氨基嘧啶硫酸盐 --> 5-亚硝基-2,4,6-三氨基嘧啶
  • Acros Organics:2,4,6-三氨基嘧啶 2,4,6-Triaminopyrimidine, 97%(1004-38-2)
  • Alfa Aesar:2,4,6-三氨基嘧啶,98+% 2,4,6-Triaminopyrimidine, 98+%(1004-38-2)
  • TCI Shanghai:2,4,6-三氨基嘧啶 2,4,6-Triaminopyrimidine,>;98.0%(T)(1004-38-2)
  • 用途一:用于抗肿瘤药、抗癌药及氨苯蝶啶、甲氨碟呤等药物的合成
  • 图谱信息:2,4,6-三氨基嘧啶(1004-38-2)红外图谱(IR2) 2,4,6-三氨基嘧啶(1004-38-2)质谱(MS) 2,4,6-三氨基嘧啶(1004-38-2)红外图谱(IR1) 2,4,6-三氨基嘧啶(1004-38-2)核磁图( 1 HNMR) 2,4,6-三氨基嘧啶(1004-38-2)核磁图( 13 CNMR)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrimidines 嘧啶
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrimidines 嘧啶
  5. C4 to C5 - Pyrimidines

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