3-Chlorobenzaldehyde 3-氯苯甲醛

CAS 587-04-2 MFCD00003350

化学结构图

587-04-2
SMILES: O=Cc1cccc(Cl)c1

化学属性

Mol. FormulaC7H5ClO
Mol. Weight140.57
Density1.241
Refractive index1.5630 to 1.5650
Flash Point88°C
TSCAYes
Boiling Point213.5°C at 760 mmHg
Melting Point9-12°C
Solubility不溶
Appearance 无色或淡黄色透明液体。熔点17-18℃，沸点213-214℃，55℃（0.133kPa），相对密度1.2410（20/4℃），折光率1.5650。溶于乙醇、乙醚、苯和丙酮，微溶于水。

别名和识别编码

Chemical Name3-Chlorobenzaldehyde
Synonym 3-Chlorobenzaldehyde {LY} 3-Chlorobenzaldehyde {} {LY} 3-Chlorobenzaldehyde {} {} {LY} 3-Chlorobenzaldehyde {} {} {} {LY} 3-Chlorobenzaldehyde {} {} {} {} {LY} 3-Chlorobenzaldehyde {} {} {} {} {} {LY} 3-Chlorobenzaldehyde {} {} {} {} {} {} {LY} 3-Chlorobenzaldehyde {} {} {} {} {} {} {} {LY} 3-Chlorobenzaldehyde {} {} {} {} {} {} {} {} {LY} 3-Chlorobenzaldehyde {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobenzaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number587-04-2
EC Number209-596-9
Beilstein Registry Number507098
MDL NumberMFCD00003350
PubChem Substance ID87565304
Reaxys-RN507098
Chemical Name Translation3-氯苯甲醛
InChIKeySRWILAKSARHZPR-UHFFFAOYSA-N
LabNetwork Molecule IDLN00189080
Canonical SMILESO=CC1=CC(Cl)=CC=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; aldehyde; 1fragment
  • {SNA} Aldehydes, Building Blocks, C7, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Short: II/25D
  • Short: II/27B

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；
  • S36/37/39 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；
  • 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
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • 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
  • P305+P351+P338+P337+P313
  • P332+P313
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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, sto
Hazard statements
  • 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
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xi
UN Number 2810

其他信息

  • Alfa Aesar:3-氯苯甲醛,97% 3-Chlorobenzaldehyde, 97%(587-04-2)
  • 上游原料:氯化亚铜 --> 氯化亚锡 --> 间硝基苯甲醛 --> 淀粉-碘化钾试纸
  • Sigma Aldrich:587-04-2(sigmaaldrich)
  • 方法一:由间硝基苯甲醛经下列步骤得到：将氯化亚锡和浓盐酸配成的溶液冷却至5℃，慢慢分次加入间硝基苯甲醛，激烈搅拌，反应过程很快升温到100℃左右。用冰盐浴冷至2℃左右，析出橙红色结晶，得糊状悬浮液。在搅拌下从液面下加入亚硝酸钠水溶液，保持温度在0-5℃，最后，溶液应使淀粉碘化钾试纸变蓝。将此重氮盐溶液加入75℃的氯化亚铜溶液中，充分混合后，加入浓盐酸搅匀，放置过夜。进行水蒸气蒸馏，收集馏出液，用乙醚提取，提取液用无水氯化钙干燥。过滤，蒸除乙醚后减压蒸馏，收集107-109℃（3.47kPa）馏分即得成品，产率在75%以上。
  • F:1-9
  • 图谱信息:3-氯苯甲醛(587-04-2)核磁图( 1 HNMR) 3-氯苯甲醛(587-04-2)红外图谱(IR3) 3-氯苯甲醛(587-04-2)核磁图( 13 CNMR) 3-氯苯甲醛(587-04-2)红外图谱(IR1) 3-氯苯甲醛(587-04-2)质谱(MS) 3-氯苯甲醛(587-04-2)红外图谱(IR2)
  • 海关编码:29130000
  • MOL 文件:587-04-2.mol
  • Acros Organics:间氯苯甲醛 3-Chlorobenzaldehyde, 99%(587-04-2)
  • Hazard Note:Irritant
  • 敏感性:Air Sensitive
  • 下游产品:2-(3-氯苯基)乙胺 --> 3-氯苄胺 --> 5-氯-1H-吲唑-3-乙酸 --> 3-(3-氯苯基)丙酸 --> 3-氯-N-甲基苄胺 --> 5-氯-2-硝基苯甲醛
  • TCI Shanghai:3-氯苯甲醛 3-Chlorobenzaldehyde,>;97.0%(GC)(587-04-2)
  • 用途二:有机中间体。
  • MSDS 信息:3-Chlorobenzaldehyde(587-04-2).msds
  • 3-氯苯甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30038880 3-氯苯甲醛;间氯苯甲醛 50ml 1167.7元 2011/04/16 C0124 3-氯苯甲醛 3-Chlorobenzaldehyde 25G 297元 2011/04/16 C0124 3-氯苯甲醛 3-Chlorobenzaldehyde 500G 1710元
  • 用途一:用作农药、医药、染料和特种化学品的中间体

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. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C7 - 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. Aromatic aldehyde<including acetal,hemiacetal>
  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. C10 to C21