CAS:4468-59-1 / 2-(4-hydroxy-3-methoxyphenyl)acetonitrile--Hangzhou Chempro Technology Co., Ltd.

CAS Number: 4468-59-1
2-(4-hydroxy-3-methoxyphenyl)acetonitrile

Structure
Name: 2-(4-hydroxy-3-methoxyphenyl)acetonitrile
Synonyms:

General Information

Product Number: 4468591

CAS Registry Number: 4468-59-1

Name:

Benzeneacetonitrile, 4-hydroxy-3-methoxy-

Acetonitrile, (4-hydroxy-3-methoxyphenyl)- (6CI,8CI); (4-Hydroxy-3-methoxyphenyl)acetonitrile; 2-Methoxy-4-(cyanomethyl)phenol; Homovanillonitrile

Chemical Formula: C9H9NO2

Exact Mass: 163.06

Molecular Weight: 163.17

m/z: 163.06 (100.0%), 164.07 (9.9%)

Elemental Analysis: C, 66.25; H, 5.56; N, 8.58; O, 19.61

InChI: InChI=1S/C9H9NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4H2,1H3

InChIKey: SDVYWMWQCJEYTC-UHFFFAOYSA-N

Canonical SMILES : COC1=C(C=CC(=C1)CC#N)O

Thermal Properties	Value	Condition	Note
Boiling Point	140-143 °C	Press: 0.2 Torr	(1)IC
Boiling Point	138 °C		(2)SRC
Melting Point	56.5 °C		(2)SRC
Melting Point	53-56 °C		(6)IC

Specification

98%

References

(1) Kitagawa, Tokujiro; Chemical & Pharmaceutical Bulletin 1991, V39(1), P187-9 CAPLUS
(2) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
(3) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
(4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
(5) Mirjafari, Arsalan; Tetrahedron Letters 2010, V51(25), P3274-3276 CAPLUS
(6) Schwartz, Martin A.; Journal of Organic Chemistry 1976, V41(14), P2502-3 CAPLUS

Contact Us

TEL: 86-17758012822
FAX: 86-571-87759731
E-mail:sales@hzchempro.com