Cas no 40991-36-4 (1,2-benzisoxazole-3-carboxylic acid ethyl ester)
40991-36-4 structure
Product Name:1,2-benzisoxazole-3-carboxylic acid ethyl ester
CAS No:40991-36-4
MF:C10H9NO3
MW:191.183362722397
CID:926441
PubChem ID:14177940
Update Time:2025-04-19
1,2-benzisoxazole-3-carboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-benzisoxazole-3-carboxylic acid ethyl ester
- 1,2-Benzisothiazol-3-carbonsaeure-ethylester
- 1,2-benzisothiazole-3-carboxamide
- 1,2-benzoxazole-3-carboxylic acid ethyl ester
- 1,2-Benzisoxazole-3-carboxylicacidethylester
- ethyl 1,2-benzoxazole-3-carboxylate
- 3-Ethoxycarbonyl-1,2-benzisoxazole
- ethyl benzo(d)isoxazole-3-carboxylate
- 57764-49-5
- AKOS006346723
- SCHEMBL1572943
- ethyl benzo[d]isoxazole-3-carboxylate
- Ethyl 1,2-Benzisoxazole-3-carboxylate
- 1,2-Benzisoxazole-3-carboxylic acid ethylester
- ethyl 1,2-benzoisoxazole-3-carboxylate
- MFCD06659787
- 40991-36-4
- AMY12243
- J-521243
- ethyl-1,2-benzisoxazole-3-carboxylate
- DS-0749
- 1,2-Benzisoxazole-3-carboxylic acid, ethyl ester
- E0731
- AB26307
- ethyl 3-benzisoxazolylcarboxylate
- CS-W006634
- IRTACBSCHHOIPA-UHFFFAOYSA-N
- A831585
- Ethyl benzisoxazole-3-carboxylate
- ethyl 1.2-benzoisoxazole-3-carboxylate
- DTXSID00557044
-
- Inchi： 1S/C10H9NO3/c1-2-13-10(12)9-7-5-3-4-6-8(7)14-11-9/h3-6H,2H2,1H3
- InChI Key： IRTACBSCHHOIPA-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2C(C(=O)OCC)=N1
Computed Properties
- Exact Mass: 191.05800
- Monoisotopic Mass: 191.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 219
- 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
- XLogP3: 2.3
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.33000
- LogP: 2.00450
1,2-benzisoxazole-3-carboxylic acid ethyl ester Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1,2-benzisoxazole-3-carboxylic acid ethyl ester Customs Data
- HS CODE：2934999090
- Customs Data：
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1,2-benzisoxazole-3-carboxylic acid ethyl ester Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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