2-Benzylmalonic Acid 苄基丙二酸
CAS 616-75-1 MFCD00004261
化学结构图
SMILES: O=C(O)C(Cc1ccccc1)C(=O)O
化学属性
| Mol. Formula | C10H10O4 |
|---|---|
| Mol. Weight | 194.19 |
| Melting Point | 118-120 |
| Appearance | 白色结晶。熔点120-122℃。 |
别名和识别编码
| Chemical Name | 2-Benzylmalonic Acid |
|---|---|
| CAS Number | 616-75-1 |
| Synonym | 2-Benzylmalonic Acid 苄基硬酯酯 BENZYLMALONCI ACIDE 1,1-Ethanedicarboxylic acid, 2-phenyl- benzyl-malonicaci Benzlmalonic acid BENZYLMALONIC ACID USAF xr-36 LABOTEST-BB LT00672662 Malonic acid, 2-benzyl- USAF XR-36 苄基丙二酸 Malonic acid, benzyl- Propanedioic acid, (phenylmethyl)- RARECHEM DK HC T302 (phenylmethyl)-propanedioicaci 2-benzylmalonicacid β-phenylisosuccinic acid 2-Benzylmalonic acid 苄基硬酯酸 NSC 8068 2-(Phenylmethyl)propanedioic Acid 2-Phenylmethylpropanedioic acid 2-Phenyl-1,1-ethanedicarboxylic acid BETA-PHENYLISOSUCCINIC ACID 2-Phenyl-1,1-ethanedicarboxylic Acid Benzylmalonic acid 2-(Phenylmethyl)propandioic acid |
| PubChem Substance ID | 12031 |
| EC Number | 210-491-5 |
| Beilstein Registry Number | 643530 |
| MDL Number | MFCD00004261 |
| Reaxys-RN | 643530 |
| Chemical Name Translation | 苄基丙二酸 |
| InChIKey | JAEJSNFTJMYIEF-UHFFFAOYSA-N |
| Wiswesser Line Notation | QVYVQ1R |
| LabNetwork Molecule ID | LN00851990 |
| InChI | InChI=1S/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14) |
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分类
- Building Blocks, C10, Carbonyl Compounds, Carboxylic Acid Monomers, Carboxylic Acids, Chemical Synthesis, Materials Science, Monomers, Organic Building Blocks, Polyme
- {SNA} Building Blocks, C10, Carbonyl Compounds, Carboxylic Acid Monomers, Carboxylic Acids, Chemical Synthesis, Materials Science, Monomers, Organic Building Blocks, Polymer Science
- {SNA} Carboxylic Acid Monomers, Monomers, Polymer Science, 材料科学
- {SNA} Carboxylic Acid Monomers, Materials Science, Monomers, Polymer Science
产品应用
- Used in cosmetic compositions.
相关文献及参考
- Aldrich MSDS 1 , 176:B / Corp MSDS 1 (1), 392:A / FT-IR 1 (2), 148:C / FT-IR 2 (2), 2590:A / FT-NMR 1 (2), 999:C / IR-Spectra (3), 936:A / IR-Spectra (2), 819:F / NMR-Reference 2 (2), 145:A / RegBook 1 (2), 1749:D / Structure Index 1 , 279:B:5
- Beil. 9 ,IV,3357
- Bureeva, S., et al.: Bioorg. Med. Chem., 13, 1045
安全信息
GHS Symbol
- 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
- 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。
- 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
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P305+P351+P338
- P332+P313
- P305+P351+P338+P337+P313
- P302+P350
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- 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；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
其他信息
- Sigma Aldrich:616-75-1(sigmaaldrich)
- 苄基丙二酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0422 苄基丙二酸 Benzylmalonic Acid 5G 489元 2014/06/02 B0422 苄基丙二酸 Benzylmalonic Acid 25G 1450元
- TCI Shanghai:苄基丙二酸 Benzylmalonic Acid,>;98.0%(GC)(T)(616-75-1)
- Acros Organics:苄基丙二酸 Benzylmalonic acid, 99%(616-75-1)
- 图谱信息:苄基丙二酸(616-75-1)核磁图( 1 HNMR) 苄基丙二酸(616-75-1)红外图谱(IR2) 苄基丙二酸(616-75-1)核磁图( 13 CNMR) 苄基丙二酸(616-75-1)红外图谱(IR1) 苄基丙二酸(616-75-1)质谱(MS)
- MSDS 信息:Benzylmalonic acid(616-75-1).msds
- MOL 文件:616-75-1.mol
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