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CAS Number: 14714-50-2
2-(2-hydroxyphenyl)acetonitrile

Structure

2-(2-hydroxyphenyl)acetonitrile
Name: 2-(2-hydroxyphenyl)acetonitrile
Synonyms:
General Information
Product Number: 14714502
CAS Registry Number:
14714-50-2
Name:
Benzeneacetonitrile, 2-​hydroxy-
(2-​Hydroxyphenyl)​acetonitrile; 2-​Hydroxybenzyl cyanide; α-​Cyano-​o-​cresol 
 
Chemical Formula: C8H7NO
Exact Mass: 133.05
Molecular Weight: 133.15
m/z: 133.05 (100.0%), 134.06 (8.8%)
Elemental Analysis: C, 72.16; H, 5.30; N, 10.52; O, 12.02
 
InChI: InChI=1S/C8H7NO/c9-6-5-7-3-1-2-4-8(7)10/h1-4,10H,5H2
InChIKey: WMWRBGOAZXDIDN-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C(=C1)CC#N)O
 
 
Thermal Properties Value Condition Note
Melting Point 122-123 °C   (3)CAS
Melting Point 122 °C   (4)CAS
Melting Point 118.5-119.0 °C Solv: chloroform (67-66-3); hexane (110-54-3) (5)CAS
Melting Point 117-119 °C   (6)CAS
Melting Point 117-119 °C   (7)IC
Melting Point 116-118 °C   (1)CAS
Melting Point 115-118 °C   (8)IC

Specification

98%

References
  1. (1) Dong, Chang-Zhi; Bioorganic & Medicinal Chemistry 2005, V13(6), P1989-2007 CAPLUS
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Chen, Yanhong; Heterocycles 2011, V83(6), P1355-1361 CAPLUS
  4. (4) Robertson, Alexander; Journal of the Chemical Society 1933, P489-93 CAPLUS
  5. (5) Nakamura, Satoshi; Journal of the American Chemical Society 2003, V125(18), P5282-5283 CAPLUS
  6. (6) Auwers, K.; Berichte der Deutschen Chemischen Gesellschaft 1908, V40, P3506-14 CAPLUS
  7. (7) Shaber, Steven Howard; EP 234683 A1 1987 CAPLUS
  8. (8) Schwartz, Martin A.; Journal of Organic Chemistry 1976, V41(14), P2502-3 CAPLUS
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