4,6-Dichloro-5-nitropyrimidine 4,6-二氯-5-硝基嘧啶

CAS 4316-93-2 MFCD00006107

化学结构图

4316-93-2
SMILES: O=[N+]([O-])c1c(Cl)ncnc1Cl

化学属性

Mol. FormulaC4HCl2N3O2
Mol. Weight193.98
Melting Point100-103°C
TSCAYes
Density1.422
Appearance 白色晶体。
Boiling Point325.8°C at 760 mmHg

别名和识别编码

Chemical Name4,6-Dichloro-5-nitropyrimidine
CAS Number4316-93-2
Alfabeta NameDICHLORONITROPYRIMIDINE 465---,
MDL NumberMFCD00006107
Synonym 4,6-Dichloro-5-nitropyrimidine {LY} 4,6-Dichloro-5-nitropyrimidine {} {LY} 4,6-Dichloro-5-nitropyrimidine {} {} {LY} 4,6-Dichloro-5-nitropyrimidine {} {} {} {LY} 4,6-Dichloro-5-nitropyrimidine {} {} {} {} {LY} 4,6-Dichloro-5-nitropyrimidine {} {} {} {} {} {LY} 4,6-Dichloro-5-nitropyrimidine {} {} {} {} {} {} {LY} 4,6-Dichloro-5-nitropyrimidine {} {} {} {} {} {} {} {LY} 4,6-Dichloro-5-nitropyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloro-5-nitropyrimidine {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloro-5-nitropyrimidine {} {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloro-5-nitropyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloro-5-nitropyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloro-5-nitropyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloro-5-nitropyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloro-5-nitrop
PubChem Substance ID20312
Beilstein Registry Number162029
EC Number224-340-6
Chemical Name Translation4,6-二氯-5-硝基嘧啶
InChIKeyHCTISZQLTGAYOX-UHFFFAOYSA-N
Wiswesser Line NotationT6N CNJ DG ENW FG
LabNetwork Molecule IDLN00008771
InChIInChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)4(6)8-1-7-3/h1H
Canonical SMILESO=[N+](C1=C(Cl)N=CN=C1Cl)[O-]
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分类

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

安全信息

Warnings IRRITANT
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。
  • P305+P351+P338
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
Hazard Codes 9
RTECSUV8258000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
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;
  • 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;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
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
Packing GroupIII
UN Number 3335
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 28 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#12158

Storage condition -20°C, sealed storage, away from moisture {LY} -20°C, sealed storage, away from moisture 2-8°C {} {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 moi

其他信息

  • 用途一:医药中间体,用于合成维生素B4。
  • MOL 文件:4316-93-2.mol
  • 图谱信息:4,6-二氯-5-硝基嘧啶(4316-93-2)红外图谱(IR1) 4,6-二氯-5-硝基嘧啶(4316-93-2)红外图谱(IR2) 4,6-二氯-5-硝基嘧啶(4316-93-2)质谱(MS)
  • Sigma Aldrich:4316-93-2(sigmaaldrich)
  • 上游原料:硝酸 --> 三氯氧磷 --> 三氟乙酸 --> N,N-二异丙基乙胺 --> 4,6-二羟基嘧啶 --> 5-硝基-4,6-二羟基嘧啶
  • 方法一:由4,6-二羟基-5-硝基嘧啶与三氯氧磷反应而得。
  • 检测方法:HPLC
  • 下游产品:腺嘌呤 --> 6-甲基嘌呤

系列性分类


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