2-Amino-6-Bromobenzothiazole 2-氨基-6-溴苯并噻唑
CAS 15864-32-1 MFCD00152229
化学结构图
SMILES: N=c1[nH]c2ccc(Br)cc2s1
化学属性
| Mol. Formula | C7H5BrN2S |
|---|---|
| Mol. Weight | 229.10 |
| Melting Point | 213-217 |
| TSCA | Yes |
别名和识别编码
| Chemical Name | 2-Amino-6-Bromobenzothiazole |
|---|---|
| CAS Number | 15864-32-1 |
| Alfabeta Name | BROMOBENZOTHIAZOLAMINE 6132-----, |
| MDL Number | MFCD00152229 |
| Synonym | 2-氨基-6-溴苯并噻唑 2-AMINO-6-BROMOBENZOTHIAZOLE 6-Bromobenzothiazol-2-amine 6-bromo-2-benzothiazolamin AKOS B000348 6-BROMO-1,3-BENZOTHIAZOL-2-YLAMINE ART-CHEM-BB B000348 6-Bromo-2-benzothiazolamine IFLAB-BB F1386-0398 2-Benzothiazolamine, 6-bromo- 6-Bromo-benzothiazol-2-ylamine 6-BROMO-BENZOTHIAZOL-2-YLAMINE 6-Bromo-1,3-benzothiazol-2-amine; 6-Bromobenzo[d]thiazol-2-amine 6-BROMOBENZO[D]THIAZOL-2-AMINE 2-AMINO-6-BROMO BENTHIAZOLE 6-BROMO-1,3-BENZOTHIAZOL-2-AMINE 2-AMINO-6-BROMOBENZOTHAZOLE 6-溴-2-氨基苯并噻唑 |
| PubChem Substance ID | 125307973 |
| Chemical Name Translation | 2-氨基-6-溴苯并噻唑 |
| Reaxys-RN | 127766 |
| Beilstein Registry Number | 127766 |
| InChIKey | VZEBSJIOUMDNLY-UHFFFAOYSA-N |
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分类
- {SNA} Building Blocks, C3 to C7, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Thiazoles
- {KO} AminesPrimary
- {uni_hamburg} no charge; sulfur heterocycle; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment
相关文献及参考
- Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/35G contains the nucleus Se-77. More nuclei are planned for future volumes.
安全信息
- S24 Avoid contact with skin 避免皮肤接触；
- 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- S37 Wear suitable gloves 戴适当手套；
- R22 Harmful if swallowed 吞咽有害
- R36 Irritating to eyes 刺激眼睛
- R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
GHS Symbol
- 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。
- 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+
- P301+P312+P330
- P302+P350
- P302+P352+P333+P313+P362+P364
- P305+P351+P338
- P333+P313
- P337+P313
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H317 May cause an allergic skin reaction 可能导致皮肤过敏
- H302 Harmful if swallowed 吞食有害
- H319 Causes serious eye irritation 严重刺激眼睛
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
1
Rotatable Bonds
0
H-bond Donors
1
LogP
2
其他信息
- 上游原料:氢氧化钠 --> 乙酸 --> 溴 --> 硫氰酸钠 --> 4-溴苯胺
- 2-氨基-6-溴苯并噻唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 A18554 2-氨基-6-溴苯并噻唑, 98% 2-Amino-6-bromobenzothiazole, 98% 5g 1946元 2010/05/25 A18554 2-氨基-6-溴苯并噻唑, 98% 2-Amino-6-bromobenzothiazole, 98% 25g 7728元 2010/05/25 A18554 2-氨基-6-溴苯并噻唑, 98% 2-Amino-6-bromobenzothiazole, 98% 1g 528元
- Alfa Aesar:2-氨基-6-溴苯并噻唑,98% 2-Amino-6-bromobenzothiazole, 98%(15864-32-1)
- Sigma Aldrich:15864-32-1(sigmaaldrich)
- MOL 文件:15864-32-1.mol
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