CAS:257-07-8 / dibenzo[b,f][1,4]oxazepine--Hangzhou Chempro Technology Co., Ltd.

CAS Number: 257-07-8
dibenzo[b,f][1,4]oxazepine

General Information

Product Number: 257078

CAS Registry Number: 257-07-8

Name:

Dibenz[b,f][1,4]oxazepine

CR; CR (lacrimator); NSC 293779

Ring Parent

Chemical Formula: C13H9NO

Exact Mass: 195.07

Molecular Weight: 195.22

m/z: 195.07 (100.0%), 196.07 (14.6%)

Elemental Analysis: C, 79.98; H, 4.65; N, 7.17; O, 8.20

InChI: InChI=1S/C13H9NO/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-9H

InChIKey: NPUACKRELIJTFM-UHFFFAOYSA-N

Canonical SMILES : C1=CC=C2C(=C1)C=NC3=CC=CC=C3O2

Thermal Properties	Value	Condition	Note
Melting Point	72 °C		(5)CAS
Melting Point	71 °C	Solv: hexane (110-54-3)	(4)IC
Melting Point	68-69 °C		(8)CAS
Melting Point	68-69 °C		(2)CAS
Melting Point	67-70 °C	Solv: benzene (71-43-2)	(3)CAS

Specification

98%

References

(1) Mesilaakso, Markku; Magnetic Resonance in Chemistry 1996, V34(12), P989-994 CAPLUS
(2) Fakhraian, H.; Journal of Heterocyclic Chemistry 2008, V45(5), P1469-1472 CAPLUS
(3) Fakhraian, Hossein; Journal of Heterocyclic Chemistry 2009, V46(5), P988-992 CAPLUS
(4) Narasimhan, N. S.; Synthesis 1979, (8), P589-90 CAPLUS
(5) Gutch, P. K.; Heterocyclic Communications 2007, V13(6), P393-396 CAPLUS
(6) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
(7) Upshall, D. G.; Toxicology and Applied Pharmacology 1974, V29(2), P301-11 CAPLUS
(8) Jilek, J. O.; Collection of Czechoslovak Chemical Communications 1965, V30(2), P463-71 CAPLUS

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