2-Amino-5-chloropyrimidine 2-氨基-5-氯嘧啶

CAS 5428-89-7 MFCD00014604

化学结构图

5428-89-7
SMILES: Nc1ncc(Cl)cn1

化学属性

Mol. FormulaC4H4ClN3
Mol. Weight129.55
Melting Point235-238°C
TSCAYes
Density1.437
Appearance 淡黄色结晶
Boiling Point314.6°C at 760 mmHg

别名和识别编码

Chemical Name2-Amino-5-chloropyrimidine
CAS Number5428-89-7
Alfabeta NameCHLOROPYRIMIDINAMINE 52---
MDL NumberMFCD00014604
PubChem Substance ID79479
EC Number226-581-2
Reaxys-RN110914
Beilstein Registry Number25(5)10,84
Synonym 2-Amino-5-chloropyrimidine {LY} 2-Amino-5-chloropyrimidine {} {LY} 2-Amino-5-chloropyrimidine {} {} {LY} 2-Amino-5-chloropyrimidine {} {} {} {LY} 2-Amino-5-chloropyrimidine {} {} {} {} {LY} 2-Amino-5-chloropyrimidine {} {} {} {} {} {LY} 2-Amino-5-chloropyrimidine {} {} {} {} {} {} {LY} 2-Amino-5-chloropyrimidine {} {} {} {} {} {} {} {LY} 2-Amino-5-chloropyrimidine {} {} {} {} {} {} {} {} {LY} 2-Amino-5-chloropyrimidine {} {} {} {} {} {} {} {} {} {LY} 2-Amino-5-chloropyrimidine {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-5-chloropyrimidine {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-5-chloropyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-5-chloropyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-5-chloropyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-5-chloropyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation2-氨基-5-氯嘧啶
InChIKeyOQZMDDKDHRIGDY-UHFFFAOYSA-N
Wiswesser Line NotationT6N CNJ BZ EG
LabNetwork Molecule IDLN00222336
InChIInChI=1S/C4H4ClN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)
Canonical SMILESC1=C(C=NC(=N1)N)Cl
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分类

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

相关文献及参考

  • Beilstein:25(5)10,84
  • Short: EINECS
  • Short: III/20a

安全信息

WGK Germany3
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。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P301+P310
  • P301+P312+P330
  • P301+P316
  • P302+P352
  • P304+P340
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • 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
Hazard Codes Xn Xn,Xi
RTECSUV6329500
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
UN Number UN 2811 6.1/PG 3
Packing GroupIII 
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 50 mg/L
REFERENCE :
   SOGEBZ Soviet Genetics.  English translation of GNKAA5.  (Plenum Pub. Corp.,
   233 Spring St., New York, NY 10013)  V.2-    1966- Volume(issue)/page/year:
   6,1623,1970

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
0
H-bond Donors
1
LogP
7.933999999999999e-001

其他信息

  • 下游产品:2-氨基嘧啶
  • Alfa Aesar:2-氨基-5-氯嘧啶,97% 2-Amino-5-chloropyrimidine, 97%(5428-89-7)
  • TCI Shanghai:2-氨基-5-氯嘧啶 2-Amino-5-chloropyrimidine,>;98.0%(GC)(T)(5428-89-7)
  • 2-氨基-5-氯嘧啶价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A1918 2-氨基-5-氯嘧啶 2-Amino-5-chloropyrimidine 5G 1640元 2010/05/25 L19248 2-氨基-5-氯嘧啶, 97% 2-Amino-5-chloropyrimidine, 97% 5g 3962元 2010/05/25 L19248 2-氨基-5-氯嘧啶, 97% 2-Amino-5-chloropyrimidine, 97% 250mg 361元
  • Sigma Aldrich:5428-89-7(sigmaaldrich)
  • Hazard Note:Irritant
  • MOL 文件:5428-89-7.mol

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. Halogenated Heterocycles 卤代杂环
  5. Pyrimidines - Halogenated Heterocycles
  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. Halogenated Heterocycles 卤代杂环
  5. Pyrimidines - Halogenated Heterocycles
  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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