2-Phenyl-1,3-thiazole-4-carboxylic acid 2-苯基-1,3-噻唑-4-甲酸

CAS 7113-10-2 MFCD00141954

化学结构图

7113-10-2
SMILES: O=C(O)c1csc(-c2ccccc2)n1

化学属性

Mol. FormulaC10H7NO2S
Mol. Weight205.23
Melting Point175-177°C
TSCANo
Density1.368
Boiling Point420.5°C at 760 mmHg

别名和识别编码

Chemical Name2-Phenylthiazole-4-carboxylic acid
CAS Number7113-10-2
Alfabeta NamePHENYLTHIAZOLECARBOXYLICACID 2134-----,
MDL NumberMFCD00141954
EC Number250-023-7
Beilstein Registry Number2384789
Synonym 2-Phenylthiazole-4-carboxylic acid {LY} 2-Phenylthiazole-4-carboxylic acid {} {LY} 2-Phenylthiazole-4-carboxylic acid {} {} {LY} 2-Phenylthiazole-4-carboxylic acid {} {} {} {LY} 2-Phenylthiazole-4-carboxylic acid {} {} {} {} {LY} 2-Phenylthiazole-4-carboxylic acid {} {} {} {} {} {LY} 2-Phenylthiazole-4-carboxylic acid {} {} {} {} {} {} {LY} 2-Phenylthiazole-4-carboxylic acid {} {} {} {} {} {} {} {LY} 2-Phenylthiazole-4-carboxylic acid {} {} {} {} {} {} {} {} {LY} 2-Phenylthiazole-4-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 2-Phenylthiazole-4-carboxylic acid {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylthiazole-4-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylthiazole-4-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylthiazole-4-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylthiazole-4-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation2-苯基-1,3-噻唑-4-甲酸
InChIKeyIBUSLNJQKLZPNR-UHFFFAOYSA-N
PubChem Substance ID138928
LabNetwork Molecule IDLN00003429
InChIInChI=1S/C10H7NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
Canonical SMILESO=C(O)C1=CSC(C2=CC=CC=C2)=N1
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分类

  • {SNA} Building Blocks, C10 to C11, Chemical Synthesis, Heterocyclic Building Blocks, Thiazoles
  • {KO} CarboxylicAcids
  • Building Blocks, C10 to C11, Chemical Synthesis, Heterocyclic Building Blocks, New Products for Chemical Synthesis, Thiazoles

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;
  • 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;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • 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;
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
Signal word Warning
GHS Symbol
WGK Germany3
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.....
Hazard Codes Xi Xn
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
3
Rotatable Bonds
2
H-bond Donors
1
LogP
2

其他信息

  • Hazard Note:Irritant
  • Acros Organics:2-苯基噻唑-4-羧酸 2-phenyl-1,3-thiazole-4-carboxylic acid(7113-10-2)
  • 检测方法:HPLC
  • 2-苯基-1,3-噻唑-4-甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 CC18301CB 2-苯基-1,3-噻唑-4-甲酸 2-phenyl-1,3-thiazole-4-carboxylic acid 250 MG 525元 2010/06/21 CC18301EA 2-苯基-1,3-噻唑-4-甲酸 2-phenyl-1,3-thiazole-4-carboxylic acid 10 GR 9000元 2010/06/21 CC18301DA 2-苯基-1,3-噻唑-4-甲酸 2-phenyl-1,3-thiazole-4-carboxylic acid 1 GR 1710元
  • MOL 文件:7113-10-2.mol

系列性分类


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