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CAS Number: 4369-55-5
3-phenylisoxazol-5-amine

Structure

3-phenylisoxazol-5-amine
Name: 3-phenylisoxazol-5-amine
Synonyms:
General Information
Product Number: 4369555

CAS Registry Number 4369-55-5
Name:
5-?Isoxazolamine, 3-?phenyl-
Isoxazole, 5-amino-3-phenyl- (6CI,7CI,8CI)
3-Phenyl-5-isoxazolamine
3-Phenylisoxazol-5-ylamine
5-Amino-3-phenylisoxazole
NSC 93157

 

Chemical Formula: C9H8N2O
Exact Mass: 160.06
Molecular Weight: 160.17
m/z: 160.06 (100.0%), 161.07 (9.9%)

 

InChI:InChI=1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2

InChI Key:HLOHVVZZMMMDMM-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)C2=NOC(=C2)N

 

Thermal Properties Value Condition Note
Melting Point 111 °C   (5)CAS
Melting Point 110-111 °C   (6)CAS
Melting Point 110-111 °C   (7)CAS
Melting Point 110 °C   (3)IC
Melting Point 110 °C Solv: ethanol (64-17-5) (4)IC
Melting Point 109-110 °C   (8)CAS
Melting Point 99-103 °C   (1)CAS

Specification

98%

References
  1. (1) Bourbeau, Matthew P.; Organic Letters 2006, V8(17), P3679-3680 CAPLUS
  2. (3) Tanee Fomum, Z.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1984, (5), P1079-83 CAPLUS
  3. (4) Mohareb, R. M.; Archiv der Pharmazie (Weinheim, Germany) 1987, V320(9), P776-80 CAPLUS
  4. (5) v. Auwers, K.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1934, V67B, P638-44 CAPLUS
  5. (6) Adembri, G.; Bollettino Scientifico della Facolta di Chimica Industriale di Bologna 1965, V23(2-3), P255-71 CAPLUS
  6. (7) Quilico, Adolfo; Rend. ist. lombardo sci. 1936, V69, P439-57 CAPLUS
  7. (8) Quilico, A.; Gazzetta Chimica Italiana 1946, V76, P148-66 CAPLUS
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