Methyl 3,4-dichlorobenzoate 3,4-二氯苯甲酸甲酯

CAS 2905-68-2 MFCD00018165

化学结构图

2905-68-2
SMILES: COC(=O)c1ccc(Cl)c(Cl)c1

化学属性

Mol. FormulaC8H6Cl2O2
Mol. Weight205.04
Melting Point44°C
TSCANo
Boiling Point264°C at 760 mmHg

别名和识别编码

Chemical NameMethyl 3,4-dichlorobenzoate
CAS Number2905-68-2
Alfabeta NameMETHYLDICHLOROBENZENECARBOXYLATE 34-,
MDL NumberMFCD00018165
Synonym Methyl 3,4-dichlorobenzoate {LY} Methyl 3,4-dichlorobenzoate {} {LY} Methyl 3,4-dichlorobenzoate {} {} {LY} Methyl 3,4-dichlorobenzoate {} {} {} {LY} Methyl 3,4-dichlorobenzoate {} {} {} {} {LY} Methyl 3,4-dichlorobenzoate {} {} {} {} {} {LY} Methyl 3,4-dichlorobenzoate {} {} {} {} {} {} {LY} Methyl 3,4-dichlorobenzoate {} {} {} {} {} {} {} {LY} Methyl 3,4-dichlorobenzoate {} {} {} {} {} {} {} {} {LY} Methyl 3,4-dichlorobenzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 3,4-dichlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3,4-dichlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3,4-dichlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3,4-dichlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3,4-dichlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3,4-dich
Chemical Name Translation3,4-二氯苯甲酸甲酯
InChIKeyWICGATIORFSOJL-UHFFFAOYSA-N
LabNetwork Molecule IDLN00146030
PubChem Substance ID76193
InChIInChI=1S/C8H6Cl2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
Canonical SMILESCOC(=O)C1=CC(=C(C=C1)Cl)Cl
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分类

  • {KO} Esters

安全信息

Warnings IRRITANT
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；
  • S37 Wear suitable gloves 戴适当手套；
  • 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；
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
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 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
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。
  • P264+P265
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P317
  • P337+P317
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
2
H-bond Donors
0
LogP
2

其他信息

  • 3,4-二氯苯甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 B20027 3，4-二氯苯甲酸甲酯, 97% Methyl 3,4-dichlorobenzoate, 97% 5g 1470元 2010/05/25 B20027 3，4-二氯苯甲酸甲酯, 97% Methyl 3,4-dichlorobenzoate, 97% 1g 367元
  • MOL 文件:2905-68-2.mol
  • Alfa Aesar:3，4-二氯苯甲酸甲酯,97% Methyl 3,4-dichlorobenzoate, 97%(2905-68-2)

系列性分类

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