1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde 1,3,5-三甲基-1H-吡唑-4-甲醛

CAS 2644-93-1 MFCD00159623

化学结构图

2644-93-1
SMILES: Cc1nn(C)c(C)c1C=O

化学属性

Mol. FormulaC7H10N2O
Mol. Weight138.17
Density1.422
Melting Point71°C
TSCANo
Boiling Point240.6°C at 760 mmHg
Stability对空气敏感
Flash Point132°C/12mm

别名和识别编码

Chemical Name1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde
CAS Number2644-93-1
Alfabeta NameTRIMETHYLPYRAZOLECARBALDEHYDE H13514-----,,
MDL NumberMFCD00159623
EC Number250-023-7
Beilstein Registry Number2384789
Synonym 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde {LY} 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde {} {LY} 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde {} {} {LY} 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde {} {} {} {LY} 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde {} {} {} {} {LY} 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde {} {} {} {} {} {LY} 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde {} {} {} {} {} {} {} {LY} 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde {} {} {} {} {} {} {} {} {LY} 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde {} {} {} {} {} {} {}
Chemical Name Translation1,3,5-三甲基-1H-吡唑-4-甲醛
PubChem Substance ID736515
LabNetwork Molecule IDLN00131778
InChIInChI=1S/C7H10N2O/c1-5-7(4-10)6(2)9(3)8-5/h4H,1-3H3
Canonical SMILESCN1N=C(C)C(C=O)=C1C
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分类

  • {KO} Aldehydes
  • {SNA} Building Blocks, C7 to C8, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
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；
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
  • 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+P312
  • P301+P317
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • 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.....
  • P501a
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Air Sensitive {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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 Xi Xn

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
1
H-bond Donors
0
LogP
9.599000000000001e-001

其他信息

  • Acros Organics:1,3,5-三甲基-吡唑-4-甲醛 1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde(2644-93-1)
  • 敏感性:Air Sensitive
  • 1,3,5-三甲基-1H-吡唑-4-甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 CC14704DA 1,3,5-三甲基-1H-吡唑-4-甲醛 1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde 1 GR 960元 2010/06/21 CC14704DE 1,3,5-三甲基-1H-吡唑-4-甲醛 1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde 5 GR 3975元 2010/05/25 H50225 1,3,5-三甲基-1H-吡唑-4-甲醛 1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde 5g 4550元
  • Alfa Aesar:1,3,5-三甲基-1H-吡唑-4-甲醛 1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde(2644-93-1)
  • Hazard Note:Irritant
  • MOL 文件:2644-93-1.mol
  • 上游原料:乙酸乙酯 --> N,N-二甲基甲酰胺 --> 石油醚 --> 三氯氧磷 --> 碳酸二甲酯 --> 3,5-二甲基吡唑

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. Pyrazoles 吡唑
  5. C7 to C8 - Pyrazoles

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