3-Amino-1,2-benzisoxazole

CAS

36216-80-5

Catalog Number

ACM36216805

Category

Other Products

Molecular Weight

134.13

Molecular Formula

C₇H₆N₂O

MSDS COA Spec Sheet

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Specification

Synonyms

1,2-Benzisoxazol-3-amine, 36216-80-5, 1,2-benzoxazol-3-amine, Benzo[d]isoxazol-3-ylamine, 1,2-Benzoisoxazol-3-amine, Benzo[d]isoxazol-3-amine, AG-F-26114, benzo[d]isoxazole-3-ylamine, F1935-0009, zlchem 93, ZINC00161908, PubChem14511, AC1MCW8P, SureCN52685, 3-Amino-1,2-benzisoxazole, benzo[d]isoxazol-3-yl-amine, AC1Q538K, AC1Q538L, CTK1C2268, ZLB0082

IUPAC Name

1,2-benzoxazol-3-amine

Canonical SMILES

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

InChI Key

NLMVYUBGWZWUGB-UHFFFAOYSA-N

Melting Point

110-112ºC

Exact Mass

134.04800

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

Safety Description

26-36/37/39

Upstream Synthesis Route 1

394-47-8

36216-80-5

Reference: [1] Patent: EP1813606, 2007, A1, . Location in patent: Page/Page column 24

Upstream Synthesis Route 2

546-88-3
394-47-8

36216-80-5

Reference: [1] Tetrahedron Letters, 1996, vol. 37, # 17, p. 2885 - 2886
[2] Patent: CN104530046, 2016, B, . Location in patent: Paragraph 0202; 0203; 0204; 0205

Upstream Synthesis Route 3

126940-09-8

36216-80-5

Reference: [1] Journal of Heterocyclic Chemistry, 1989, vol. 26, p. 1293 - 1298
[2] Patent: EP2460799, 2012, A1, . Location in patent: Page/Page column 31
[3] Patent: WO2003/97616, 2003, A1, . Location in patent: Page/Page column 21
[4] Patent: WO2008/77188, 2008, A1, . Location in patent: Page/Page column 120-121