2-Mercaptopyrimidine 2(1H)-嘧啶硫酮

CAS 1450-85-7 MFCD00006073

化学结构图

1450-85-7
SMILES: S=c1nccc[nH]1

化学属性

Mol. FormulaC4H4N2S
Mol. Weight112.15
Density1.422
Melting Point230°C
TSCAYes
Appearance 黄色晶体，熔点230-248℃
Boiling Point191.3±23.0°C at 760 mmHg

别名和识别编码

Chemical Name2-Mercaptopyrimidine
MDL NumberMFCD00006073
CAS Number1450-85-7
EC Number215-917-3
Beilstein Registry Number107105
Synonym Pyrimidine-2(1H)-thione {LY} Pyrimidine-2(1H)-thione pyrimidine-2-thiol pyrimidine-2-thiol, lithium salt {} {LY} Pyrimidine-2(1H)-thione {} {} {LY} Pyrimidine-2(1H)-thione {} {} {} {LY} Pyrimidine-2(1H)-thione {} {} {} {} {LY} Pyrimidine-2(1H)-thione {} {} {} {} {} {LY} Pyrimidine-2(1H)-thione {} {} {} {} {} {} {LY} Pyrimidine-2(1H)-thione {} {} {} {} {} {} {} {LY} Pyrimidine-2(1H)-thione {} {} {} {} {} {} {} {} {LY} Pyrimidine-2(1H)-thione {} {} {} {} {} {} {} {} {} {LY} Pyrimidine-2(1H)-thione {} {} {} {} {} {} {} {} {} {} {LY} Pyrimidine-2(1H)-thione {} {} {} {} {} {} {} {} {} {} {} {LY} Pyrimidine-2(1H)-thione {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pyrimidine-2(1H)-thione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pyrimidine-2(1H)-thione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} 2-mercaptopyrimidine {} {}
PubChem Substance ID1550489
Reaxys-RN742007
Chemical Name Translation2(1H)-嘧啶硫酮
InChIKeyHBCQSNAFLVXVAY-UHFFFAOYSA-N
LabNetwork Molecule IDLN00226780
InChIInChI=1S/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)
Canonical SMILESS=C1N=CC=CN1
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分类

  • {SNA} Building Blocks, C4 to C5, Chemical Synthesis, Heterocyclic Building Blocks, Pyrimidines

相关文献及参考

  • The thiol group can be alkylated by reaction with an alcohol in the presence of N,N-Dimethyl­formamide dineopentyl­ acetal, L02728. This method has been used to convert the hydroxymethyl groups of sugars to methyl, by reduction of the resulting thioether with Raney nickel: Tetrahedron Lett., 585 (1972).

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • 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
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
  • 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。
  • P302+P350
  • 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）。
  • 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.....
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
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
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MOL 文件:1450-85-7.mol
  • 下游产品:S-甲基-S-(2-嘧啶基)亚磺酰亚胺
  • 海关编码:29335995
  • TCI Shanghai:2-巯基嘧啶 2-Mercaptopyrimidine,>;97.0%(T)(1450-85-7)
  • 图谱信息:2-巯基哌啶(1450-85-7)红外图谱(IR1) 2-巯基哌啶(1450-85-7)红外图谱(IR2) 2-巯基哌啶(1450-85-7)核磁图( 1 HNMR) 2-巯基哌啶(1450-85-7)质谱(MS) 2-巯基哌啶(1450-85-7)核磁图( 13 CNMR)
  • MSDS 信息:2-Mercaptopyrimidine(1450-85-7).msds
  • Alfa Aesar:2-巯基嘧啶,98% 2-Mercaptopyrimidine, 98%(1450-85-7)
  • Acros Organics:2-巯基嘧啶 2-Mercaptopyrimidine, 98%(1450-85-7)
  • Sigma Aldrich:1450-85-7(sigmaaldrich)
  • 检测方法:HPLC,NMR
  • 2-巯基哌啶价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0937 2-巯基嘧啶 2-Mercaptopyrimidine 25G 653元 2010/06/21 156740100 2-巯基哌啶 2-Mercaptopyrimidine 98% 10 GR 317元 2010/06/21 156740500 2-巯基哌啶 2-Mercaptopyrimidine 98% 50 GR 1255元
  • F:13

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
  1. C9 to C46