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-Cyanobenzaldehyde {} {} {} {} {} {} {} {}
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°C, stored
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