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 {} {} {} {} {} {} {} {} {} {} {} {} {

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

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiazoles 噻唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiazoles 噻唑
  5. C10 to C11 - Thiazoles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Heterocyclic Acids 杂环酸
  5. Thiazole Acids

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