4-Cyanobenzaldehyde 4-氰基苯甲醛

CAS 105-07-7 MFCD00003376

化学结构图

105-07-7
SMILES: N#Cc1ccc(C=O)cc1

化学属性

Mol. FormulaC8H5NO
Mol. Weight131.13
Boiling Point133°C at 760 mmHg
Melting Point100.5°C
TSCAYes
Flash Point88 ºC
Density1.15
Solubility935 MG/L (20 ºC)
Stability对空气敏感

别名和识别编码

Chemical Name4-Cyanobenzaldehyde
CAS Number105-07-7
Alfabeta NameFORMYLBENZONITRILE 4-
MDL NumberMFCD00003376
Synonym 4-Cyanobenzaldehyde {LY} 4-Cyanobenzaldehyde {} {LY} 4-Cyanobenzaldehyde {} {} {LY} 4-Cyanobenzaldehyde {} {} {} {LY} 4-Cyanobenzaldehyde {} {} {} {} {LY} 4-Cyanobenzaldehyde {} {} {} {} {} {LY} 4-Cyanobenzaldehyde {} {} {} {} {} {} {LY} 4-Cyanobenzaldehyde {} {} {} {} {} {} {} {LY} 4-Cyanobenzaldehyde {} {} {} {} {} {} {} {} {LY} 4-Cyanobenzaldehyde {} {} {} {} {} {} {} {} {} {LY} 4-Cyanobenzaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4
PubChem Substance ID66042
EC Number203-267-3
Beilstein Registry Number606473
Chemical Name Translation4-氰基苯甲醛
Reaxys-RN606473
Wiswesser Line NotationVHR DCN
InChIKeyWZWIQYMTQZCSKI-UHFFFAOYSA-N
LabNetwork Molecule IDLN00220781
InChIInChI=1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H
Canonical SMILESN#CC1=CC=C(C=O)C=C1
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分类

  • Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {SA} Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {SNA} Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Beilstein:10,672

安全信息

Warnings IRRITANT, AIR SENSITIVE
GHS Symbol
WGK Germany3
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H302+H312+H332
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn;N Xn Xn,Xi
RTECSCU5250000
Precautionary statements
  • 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。
  • P304+P340+P312
  • 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。
  • 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。
  • 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。
  • P332+P313
  • P302+P352+P312+P362+P364
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P305+
  • P301 IF SWALLOWED: 如果吞下去
Signal word
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R51/53
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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°
Packing GroupIII
Hazard Class6.1
UN Number 3439 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

其他信息

  • TCI Shanghai:4-氰基苯甲醛 4-Cyanobenzaldehyde,>;98.0%(GC)(T)(105-07-7)
  • MSDS 信息:4-Cyanobenzaldehyde(105-07-7).msds
  • 下游产品:4-氰基苯乙烯
  • Acros Organics:4-氰基苯甲醛 4-Cyanobenzaldehyde, 98%(105-07-7)
  • 敏感性:Air Sensitive
  • Alfa Aesar:4-氰基苯甲醛,98+% 4-Cyanobenzaldehyde, 98+%(105-07-7)
  • 上游原料:三氯甲烷 --> 四氯化碳 --> N-溴代丁二酰亚胺 --> 过氧化二苯甲酰 --> 乌洛托品 --> 对甲苯腈
  • 图谱信息:4-氰基苯甲醛(105-07-7)红外图谱(IR1) 4-氰基苯甲醛(105-07-7)质谱(MS) 4-氰基苯甲醛(105-07-7)Raman光谱 4-氰基苯甲醛(105-07-7)核磁图( 1 HNMR) 4-氰基苯甲醛(105-07-7)红外图谱(IR2) 4-氰基苯甲醛(105-07-7)核磁图( 13 CNMR)
  • 海关编码:29269095
  • Hazard Note:Irritant
  • MOL 文件:105-07-7.mol
  • Sigma Aldrich:105-07-7(sigmaaldrich)
  • 用途一:用作医药中间体
  • 4-氰基苯甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0443 4-氰基苯甲醛 4-Cyanobenzaldehyde 25G 1540元 2014/06/02 C0443 4-氰基苯甲醛 4-Cyanobenzaldehyde 5G 537元 2010/06/21 110720250 4-氰基苯甲醛 4-Cyanobenzaldehyde 98% 25 GR 3155元

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
  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
  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
  6. C7
  1. Materials Science 材料科学
  2. Building Blocks for Liquid Crystals