2-Fluoro-4-formylbenzonitrile 2-氟-4-甲酰基苯甲腈

CAS 101048-76-4 MFCD06738989

化学结构图

101048-76-4
SMILES: N#CC1C=CC(C=O)=CC=1F

化学属性

Mol. FormulaC8
Mol. Weight149
Melting Point87.0 to 92.0 deg-C

别名和识别编码

Chemical Name2-Fluoro-4-formylbenzonitrile
CAS Number101048-76-4
Alfabeta NameFLUOROFORMYLBENZENECARBONITRILE 24---
MDL NumberMFCD06738989
Synonym 2-氟-4-甲酰基苯甲腈 4-氰基-3-氟苯甲醛
Chemical Name Translation2-氟-4-甲酰基苯甲腈
PubChem Substance ID354334335
Reaxys-RN8974664
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分类

  • Aldehydes, Aryl Fluorinated Building Blocks, Building Blocks, C7-C8, C8, Carbonyl Compounds, Chemical Synthesis, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
  • {SA} Aldehydes, Aryl Fluorinated Building Blocks, Building Blocks, C7-C8, C8, Carbonyl Compounds, Chemical Synthesis, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
  • {KO} Nitriles
  • {KO} Aldehydes

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。
  • 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+P330
  • P302+P352+P312+P362+P364
  • P304+P340+P312
  • P305+P351+P338+P337+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard statements
  • H302+H312+H332
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, 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；
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

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
0
H-bond Acceptors
2
Rotatable Bonds
1
LogP
1

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C8 to C9 - Cyanides/Nitriles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C8 - Aldehydes

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