1,2-Benzisoxazole

CAS

271-95-4

Catalog Number

ACM271954

Category

Other Products

Molecular Weight

119.1207

Molecular Formula

C₇H₅NO

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

ISOINDOXAZINE; 1,2-Benzisoxazole; 1-Oxa-2-azaindene; 4,5-Benzisoxazole; INDOXAZENE; benzisoxazole radical; Benzo[d]isoxazole; Isoindoxazine; 1,2-benzoisoxazole; 1,2-BENZISOXAZOLE; 4,5-Benzisoazole;

IUPAC Name

1,2-benzoxazole

Canonical SMILES

C1=CC=C2C(=C1)C=NO2

InChI Key

KTZQTRPPVKQPFO-UHFFFAOYSA-N

Boiling Point

208.4ºC at 760 mmHg

Flash Point

86.1ºC

Density

1.174 g/mL at 25ºC(lit.)

EC Number

205-983-1

Exact Mass

119.03700

H-Bond Acceptor

H-Bond Donor

Safety Description

24/25

WGK Germany

Upstream Synthesis Route 1

59417-52-6

94-67-7
271-95-4
64-19-7

Reference: [1] Tetrahedron, 1981, vol. 37, # 17, p. 2977 - 2982

Upstream Synthesis Route 2

94-67-7

271-95-4

Reference: [1]Synthetic Communications,2014,vol. 44,p. 547 - 555

Downstream Synthesis Route 1

271-95-4
74-88-4

13673-62-6

Reference: [1] Patent: WO2008/53446, 2008, A2, . Location in patent: Page/Page column 26-27

Downstream Synthesis Route 2

271-95-4

39835-28-4

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 6, p. 1147 - 1150
[2] Journal of the American Chemical Society, 2000, vol. 122, # 6, p. 1022 - 1029
[3] Tetrahedron, 1967, vol. 23, p. 2001 - 2015

Downstream Synthesis Route 3

271-95-4

39835-28-4

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1147 - 1150
[2]Journal of the American Chemical Society,2000,vol. 122,p. 1022 - 1029
[3]Tetrahedron,1967,vol. 23,p. 2001 - 2015