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CAS Number: 38985-64-7
1-fluoro-2-isothiocyanatobenzene

Structure

 1-fluoro-2-isothiocyanatobenzene
Name: 1-fluoro-2-isothiocyanatobenzene
Synonyms:
General Information
Product Number: 38985647

CAS Registry Number 38985-64-7
Name:
Benzene, 1-?fluoro-?2-?isothiocyanato-
1-Fluoro-2-isothiocyanatobenzene
2-Fluorophenyl isothiocyanate
NSC 129257
o-Fluorophenyl isothiocyanate

 

Chemical Formula: C7H4FNS
Exact Mass: 153.00
Molecular Weight: 153.18
m/z: 153.00 (100.0%), 154.01 (7.6%), 155.00 (4.5%), 154.00 (1.2%)

 

InChI:InChI=1S/C7H4FNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H

InChI Key:OAGDRIUTLPDSMJ-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C(=C1)N=C=S)F

Specification

98%
References
  1. (1) ACD-A: Sigma-Aldrich (Spectral data were obtained from Advanced Chemistry Development, Inc.)
  2. (3) Nath, Jayashree; Green Chemistry Letters and Reviews 2011, V4(1), P1-34 CAPLUS
  3. (4) Nath, Jayashree; European Journal of Organic Chemistry 2009, (12), P1849-1851, S1849/1-S1849/28 CAPLUS
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