P-Chloroacetophenone 对氯苯乙酮

CAS 99-91-2 MFCD00000624

化学结构图

99-91-2
SMILES: CC(=O)c1ccc(Cl)cc1

化学属性

Mol. FormulaC8H7ClO
Mol. Weight154.59
Density1.192
Refractive index1.5530 to 1.5560
Flash Point90°C
TSCAYes
Boiling Point237.7°C at 760 mmHg
Melting Point20-21 °C
Vapor Pressure8 mmHg ( 90 °C)
Solubility111 MG/L (25 ºC)
pH:A

别名和识别编码

Chemical Namep-Chloroacetophenone
MDL NumberMFCD00000624
CAS Number99-91-2
Synonym 1-(4-Chlorophenyl)ethanone {LY} 1-(4-Chlorophenyl)ethanone 4-chloroacetophenone {} {LY} 1-(4-Chlorophenyl)ethanone {} {} {LY} 1-(4-Chlorophenyl)ethanone {} {} {} {LY} 1-(4-Chlorophenyl)ethanone {} {} {} {} {LY} 1-(4-Chlorophenyl)ethanone {} {} {} {} {} {LY} 1-(4-Chlorophenyl)ethanone {} {} {} {} {} {} {LY} 1-(4-Chlorophenyl)ethanone {} {} {} {} {} {} {} {LY} 1-(4-Chlorophenyl)ethanone {} {} {} {} {} {} {} {} {LY} 1-(4-Chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {LY} 1-(4-Chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number202-800-7
Merck Number2116
Beilstein Registry Number386014
PubChem Substance ID7467
Reaxys-RN386014
Chemical Name Translation对氯苯乙酮
Wiswesser Line NotationGR DV1
LabNetwork Molecule IDLN00195270
InChIInChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
Canonical SMILESCC(C1=CC=C(Cl)C=C1)=O
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

产品应用

  • 有机合成。

相关文献及参考

  • Short: II/27B
  • Merck: 14,2116 Beilstein:7,281
  • Short: III/20b
  • Merck: 14,2116

安全信息

RTECSKM5600000
Packing GroupII
UN Number
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
  • R26 Very toxic by inhalation 吸入极毒
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;
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • 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;
  • 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;
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
GHS Symbol
WGK Germany1
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H330 Fatal if inhaled 吸入致命
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
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。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P264+P265
  • 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。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P312
  • P301+P312+P330
  • P301+P317
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P316
  • P317
  • P319
  • P320 Specific treatment is urgent (see … on this label). 紧急具体治疗(见本标签上的)。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P370+P378
  • P403 Store in a well-ventilated place. 储存在通风良好的地方。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes T+
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class6.1
TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1752 mg/m3/15M
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJATDK JAT, Journal of Applied Toxicology.  (John Wiley & Sons Ltd., Baffins
   Lane, Chichester, W. Sussex PO19 1UD, UK)  V.1-    1981-
   Volume(issue)/page/year: 14,411,1994

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Human
DOSE/DURATION           : 1 mg/m3/1M
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - effect, not otherwise
   specified
   Sense Organs and Special Senses (Eye) - lacrimation
   Sense Organs and Special Senses (Eye) - effect, not otherwise specified
REFERENCE :
   27ZZA9 "Manual of Pharmacology and Its Applications to Therapeutics and
   Toxicology," 8th ed., Sollman, T., Philadelphia, W.B. Saunders Co., 1957
   Volume(issue)/page/year: 8,192,1957

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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1207 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - respi

其他信息

  • 能与乙醇、乙醚混溶,几乎不溶于水,水中溶解度:111 mg/L (25°C)。有毒,半数致死量(小鼠,腹腔)100mg/kg。

系列性分类