4-Amino-2-Chloropyrimidine-5-Carbonitrile 4-氨基-2-氯嘧啶-5-甲腈

CAS 94741-69-2 MFCD00052343

化学结构图

94741-69-2
SMILES: NC1=NC(Cl)=NC=C1C#N

化学属性

Mol. FormulaC5H3ClN4
Mol. Weight155
Melting Point200
TSCANo
Density1.422

别名和识别编码

Chemical Name4-Amino-2-Chloropyrimidine-5-Carbonitrile
CAS Number94741-69-2
Alfabeta NameAMINOCHLOROPYRIMIDINECARBONITRILE 425-----
MDL NumberMFCD00052343
PubChem Substance ID24881707
EC Number250-023-7
Beilstein Registry Number2384789
Synonym 4-氨基-2-氯嘧啶-5-腈 4-AMINO-2-CHLOROPYRIMIDINE-5-CARBOXNITR& 4-AMINO-2-CHLORO-5-PYRIMIDINECARBONITRILE 4-AMINO-2-CHLOROPYRIMIDINE-5-CARBONITRILE 4-氨基-2-氯嘧啶-5-甲腈 BUTTPARK 60\40-60 4-Amino-2-chloropyrimidine-5-carbonitrile ,97%
Chemical Name Translation4-氨基-2-氯嘧啶-5-甲腈
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分类

  • {KO} Nitriles
  • Building Blocks, C4 to C5, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyrimidines
  • {KO} AminesPrimary
  • {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。
  • 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。
  • P305+P351+P338
Signal word Danger
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes 6.1 Xn
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, 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；
  • S36/37/39 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；
UN Number 3439
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Packing GroupIII
Hazard Class6.1
Storage condition 储存温度2-8℃

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
3
Rotatable Bonds
0
LogP
5.642000000000000e-001

其他信息

  • 上游原料:乙醇 --> 盐酸 --> 甲醇 --> 钠 --> 三氯甲烷 --> 镁 --> 氰胺 --> 乙氧基亚甲基丙二腈
  • MOL 文件:94741-69-2.mol
  • 4-氨基-2-氯嘧啶-5-腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 TL00437DA 4-氨基-2-氯嘧啶-5-腈 4-amino-2-chloropyrimidine-5-carbonitrile 1 GR 765元 2010/06/21 TL00437EA 4-氨基-2-氯嘧啶-5-腈 4-amino-2-chloropyrimidine-5-carbonitrile 10 GR 5205元 2010/05/25 43952 4-氨基-2-氯嘧啶-5-甲腈 , 97% 4-Amino-2-chloropyrimidine-5-carbonitrile, 97% 2g 1291元
  • Acros Organics:4-amino-2-chloropyrimidine-5-carbonitrile(94741-69-2)
  • Sigma Aldrich:94741-69-2(sigmaaldrich)
  • Alfa Aesar:4-氨基-2-氯嘧啶-5-甲腈,97% 4-Amino-2-chloropyrimidine-5-carbonitrile, 97%(94741-69-2)
  • 检测方法:HPLC,NMR
  • Hazard Note:Harmful

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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