Sinigrin 黑芥子苷
CAS 3952-98-5 MFCD00006616
化学结构图
SMILES: C=CCC(=NOS(=O)(=O)[O-])SC1OC(CO)C(O)C(O)C1O.[K+]
化学属性
| Mol. Formula | C10H16KNO9S2 |
|---|---|
| Mol. Weight | 397 |
| Melting Point | 128 |
别名和识别编码
| Chemical Name | (-)-Sinigrin hydrate |
|---|---|
| Synonym | 2-Propenyl glucosinolate Allyl glucosinolate Beta-d-glucopyranose, beta-d-siumsal Glucopyranose, 1-thio-, 1-(3-butenoate), oxime, O-sulfate, potassium salt, β-D- Glucopyranose, 1-thio-, 1-(3-butenohydroximate) NO-(hydrogen sulfate), monopotassium salt, β-D- NSC 407279 NSC 90774 Sinigrine myronate potassium 1-(β-D-glucopyranosylthio)but-3-enylideneaminooxysulfonate sinigrin sinigrin, monopotassium salt |
| EC Number | 223-545-8 |
| CAS Number | 3952-98-5 |
| PubChem Substance ID | 23682211 |
| Chemical Name Translation | 黑芥子苷 |
| MDL Number | MFCD00006616 |
| Merck Number | 8545 |
| Reaxys-RN | 4118845 |
| LabNetwork Molecule ID | LN01746356 |
| InChI | InChI=1S/C10H17NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);/q;+1/p-1/b11-6+;/t5-,7-,8+,9-,10+;/m1./s1 |
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分类
- {uni_hamburg} no charge; oxygen heterocycle; alicycle; 6RingOnly; 6ring; alcohol; chiral; 2fragments; ionic
相关文献及参考
- Short: III/5a Title: Structure Data of Organic Crystals: C ... C 13 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5a Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.
- Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
安全信息
GHS Symbol
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
- 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
- P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
- P319
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P332+P313
- 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
- P403+P233
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- 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
