CAS Registry Number: 15344-56-6

Name:

2-​Benzoxazoleacetonitr​ile

(1,​3-​Benzoxazol-​2-​yl)​acetonitrile; (2-​Benzoxazolyl)​acetonitrile; 2-​(Cyanomethyl)​benzoxazole 

Chemical Formula: C9H6N2O
Exact Mass: 158.05
Molecular Weight: 158.16
m/z: 158.05 (100.0%), 159.05 (10.6%)
Elemental Analysis: C, 68.35; H, 3.82; N, 17.71; O, 10.12

InChI: InChI=1S/C9H6N2O/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2
InChIKey: NGUJPJCKRWSDCS-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)N=C(O2)CC#N

Specification

98%

1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
2. (2) Golankiewicz, K.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques 1965, V13(4), P241-3 CAPLUS
3. (3) Golankiewicz, Krzysztof; Roczniki Chemii 1967, V41(3), P503-13 CAPLUS