4-Chlorobenzaldehyde 对氯苯甲醛

CAS 104-88-1 MFCD00003379

化学结构图

104-88-1
SMILES: O=Cc1ccc(Cl)cc1

化学属性

Mol. FormulaC7H5ClO
Mol. Weight140.57
Density1.196
Flash Point11.11°C
TSCAYes
Melting Point46°C
Boiling Point213.7°C at 760 mmHg
Refractive index1.5552
Stability对湿度敏感,;对光和空气敏感

别名和识别编码

Chemical Name4-Chlorobenzaldehyde
MDL NumberMFCD00003379
CAS Number104-88-1
EC Number203-247-4
Beilstein Registry Number385858
Reaxys-RN385858
PubChem Substance ID7726
Synonym 4-Chlorobenzaldehyde {LY} 4-Chlorobenzaldehyde {} {LY} 4-Chlorobenzaldehyde {} {} {LY} 4-Chlorobenzaldehyde {} {} {} {LY} 4-Chlorobenzaldehyde {} {} {} {} {LY} 4-Chlorobenzaldehyde {} {} {} {} {} {LY} 4-Chlorobenzaldehyde {} {} {} {} {} {} {LY} 4-Chlorobenzaldehyde {} {} {} {} {} {} {} {LY} 4-Chlorobenzaldehyde {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzaldehyde {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chl
Chemical Name Translation对氯苯甲醛
InChIKeyAVPYQKSLYISFPO-UHFFFAOYSA-N
LabNetwork Molecule IDLN00190877
InChIInChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H
Canonical SMILESO=CC1=CC=C(Cl)C=C1
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分类

  • {SNA} Aldehydes, Building Blocks, C7, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

产品应用

  • 有机合成,制造三苯基甲烷及有关染料的中间体。医药;用于制造芬那露;氨苯氨酪酸等。

相关文献及参考

  • Beilstein:7,235
  • The nucleophilic (halex) substitution of the chloro substituent by F- can be achieved in good yield by high temperature reaction with KF in tetramethylene sulfone in the presence of Tetraphenyl­phosphonium bromide, A15860, as a thermally stable phase-transfer catalyst. This method is general for chloro substituents activated by an ortho- or para-aldehyde group: Chem. Lett., 1355 (1988).

安全信息

Signal word Warning
GHS Symbol
WGK Germany2
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 Wear suitable protective clothing 穿戴适当的防护服;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
  • S57 Use appropriate containment to avoid environmental contamination 使用适当容器避免环境污染;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSCU5076000
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
UN Number UN3077
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 un
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Packing GroupIII
Hazard Codes Xn
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1575 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
   Behavioral - excitement
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 31(2),50,1987

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >473 mg/m3/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 31(2),50,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1400 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
   Behavioral - excitement
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 31(2),50,1987

其他信息

  • 能随水蒸气挥发。易溶于醇、醚和苯,能溶于水和丙酮。

系列性分类