Cas no 1085-32-1 (5-Isoxazolecarboxylicacid, 3-methyl-, 2-(phenylmethyl)hydrazide)
1085-32-1 structure
Product Name:5-Isoxazolecarboxylicacid, 3-methyl-, 2-(phenylmethyl)hydrazide
CAS No:1085-32-1
MF:C12H13N3O2
MW:231.250522375107
CID:178150
PubChem ID:14141
Update Time:2025-04-19
5-Isoxazolecarboxylicacid, 3-methyl-, 2-(phenylmethyl)hydrazide Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolecarboxylicacid, 3-methyl-, 2-(phenylmethyl)hydrazide
- N'-benzyl-3-methyl-1,2-oxazole-5-carbohydrazide
- 1087-S
- 1-Benzyl-2-(3-methylisoxazol-5-yl)-carbonyl hydrazine
- 1-Benzyl-2-< (3-methyl-5-isoxazolyl)> carbonylhydrazin
- 3-methyl-isoxazole-5-carboxylic acid
- 5-ISOXAZOLECARBOXYLIC ACID, 3-METHYL-, 2-BENZYLHYDRAZIDE
- AC1L237T
- BRN 0884217
- LS-86608
- N-benzyl-N'-< 3-methyl-isoxazolyl-(5)-carbonyl> hydrazin
- N-Benzyl-N'-< 3-methyl-isoxazolyl-(5)-carbonyl> -hydrazin
- N'-Benzyl-3-methylisoxazole-5-carbohydrazide
- DTXSID40148571
- 3-Methylisoxazole-5-carboxylic acid 2-benzyl hydrazide
- 1085-32-1
-
- Inchi： 1S/C12H13N3O2/c1-9-7-11(17-15-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)
- InChI Key： SZOGVNNFYRYSLY-UHFFFAOYSA-N
- SMILES： O1C(=CC(C)=N1)C(NNCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 231.10089
- Monoisotopic Mass: 231.100777
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 254
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 67.2
- XLogP3: 1.6
Experimental Properties
- Density: 1.1818 (rough estimate)
- Boiling Point: 373.33°C (rough estimate)
- Flash Point: 190.9°C
- Refractive Index: 1.5290 (estimate)
- PSA: 67.16
- LogP: 2.19940
5-Isoxazolecarboxylicacid, 3-methyl-, 2-(phenylmethyl)hydrazide Security Information
- Safety Term：x."> Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
- Storage Condition：Ventilate and dry at low temperature, and store separately from food raw materials in the warehouse
5-Isoxazolecarboxylicacid, 3-methyl-, 2-(phenylmethyl)hydrazide Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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