CAS:40530-18-5 / 5-bromo-2-hydroxybenzonitrile--Hangzhou Chempro Technology Co., Ltd.

CAS Number: 40530-18-5
5-bromo-2-hydroxybenzonitrile

Structure
Name: 5-bromo-2-hydroxybenzonitrile
Synonyms:

General Information

Product Number: 40530185

CAS Registry Number: 40530-18-5

Name:

Benzonitrile, 5-bromo-2-hydroxy-

2-Hydroxy-5-bromobenzonitrile; 4-Bromo-2-cyanophenol; 5-Bromo-2-hydroxybenzonitrile; 5-Bromosalicylonitrile

Chemical Formula: C7H4BrNO

Exact Mass: 196.95

Molecular Weight: 198.02

m/z: 196.95 (100.0%), 198.95 (97.8%), 197.95 (7.7%), 199.95 (7.4%)

Elemental Analysis: C, 42.46; H, 2.04; Br, 40.35; N, 7.07; O, 8.08

InChI: InChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H

InChIKey: PVCONXMDUZOPJH-UHFFFAOYSA-N

Canonical SMILES : C1=CC(=C(C=C1Br)C#N)O

Thermal Properties	Value	Condition	Note
Melting Point	158-159 °C		(5)CAS
Melting Point	156-158 °C	Solv: benzene (71-43-2)	(7)CAS
Melting Point	155-156 °C		(1)CAS
Melting Point	154-156 °C		(3)IC
Melting Point	57-58 °C		(4)CAS

Specification

98%

References

(1) Anwar, Hany F.; Tetrahedron Letters 2008, V49(28), P4443-4445 CAPLUS
(2) Oh, Scott; Acta Crystallographica, Section E: Structure Reports Online 2012, V68(9), Po2617 CAPLUS
(3) Jin, Guoxin; Nanjing Daxue Xuebao, Ziran Kexue 1985, V21(3), P506-8, 1 plate CAPLUS
(4) Parameshwarappa, Gangajji; Organic Chemistry: An Indian Journal 2008, V4(5), P375-379 CAPLUS
(5) Parameshwarappa, G.; Heterocyclic Communications 2009, V15(5), P335-341 CAPLUS
(6) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
(7) Basawaraj, Raja; Indian Journal of Heterocyclic Chemistry 2010, V20(2), P129-132 CAPLUS

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