4-Chloro-7H-pyrrolo[2,3-d]pyrimidine 4-氯-7H-吡咯并[2,3-D]嘧啶-KG

CAS 3680-69-1 MFCD01686865

化学结构图

3680-69-1
SMILES: Clc1ncnc2[nH]ccc12

化学属性

Mol. FormulaC6H4ClN3
Mol. Weight153.57
Melting Point182-184°C
TSCANo
Density1.531
Boiling Point325.9°C at 760 mmHg
Flash Point180.7°C

别名和识别编码

Chemical Name4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
CAS Number3680-69-1
Alfabeta NameCHLOROPYRROLOPYRIMIDINE HD4723[]----,
MDL NumberMFCD01686865
Synonym 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine {LY} 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine {} {LY} 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine {} {} {LY} 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {LY} 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {LY} 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {LY} 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {LY} 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {} {LY} 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {} {} {LY} 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7H-pyrrolo[2,3-d]pyrimid
Chemical Name Translation4-氯-7H-吡咯并[2,3-D]嘧啶-KG
Reaxys-RN607871
PubChem Substance ID5356682
Beilstein Registry Number \u0009607871
InChIKeyBPTCCCTWWAUJRK-UHFFFAOYSA-N
LabNetwork Molecule IDLN00003076
InChIInChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
Canonical SMILESClC1=C2C(NC=C2)=NC=N1
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分类

  • {KO} ReacChlorides
  • {SNA} Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Purines
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
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+P316
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • 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.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • 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
RTECSUY9360000
Signal word Danger
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
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；
  • S37 Wear suitable gloves 戴适当手套；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
Hazard Codes 6.1 T Xi,T
UN Number 2811
Packing GroupIII 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 297 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GANNA2 Gann.  Japanese Journal of Cancer Research.  (Tokyo, Japan)  V.1-75,
   1907-84.  For publisher information, see JJCREP.  Volume(issue)/page/year:
   56,219,1965

Storage condition -20°C, sealed storage, away from moisture {LY} -20°C, sealed storage, away from moisture {} {LY} -20°C, sealed storage, away from moisture {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storag

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 Donors
1
H-bond Acceptors
2
Rotatable Bonds
0
LogP
1

其他信息

  • 上游原料:钠 --> 三氯氧磷 --> 碳酸钾 --> 氯化铵 --> 氰乙酸乙酯 --> 硫脲 --> 碘化钠 --> 2-溴-1,1-二乙氧基乙烷 --> 铝镍合金 --> 4-羟基吡咯并[2,3-d]嘧啶
  • 4-氯吡咯并嘧啶价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 XW36806911 6-氯-7-脱氮嘌呤 1g 392元 2011/08/23 XW36806912 6-氯-7-脱氮嘌呤 5g 985元 2011/04/16 C2306 6-氯-7-氮杂嘌呤 6-Chloro-7-deazapurine 5G 4860元
  • Alfa Aesar:6-氯-7-氮杂嘌呤,98% 6-Chloro-7-deazapurine, 98%(3680-69-1)
  • Sigma Aldrich:3680-69-1(sigmaaldrich)
  • MOL 文件:3680-69-1.mol
  • TCI Shanghai:6-氯-7-氮杂嘌呤 6-Chloro-7-deazapurine,>;98.0%(GC)(T)(3680-69-1)

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. Purines 嘌呤
  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

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