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CAS Number: 364-76-1
4-fluoro-3-nitroaniline

Structure

 4-fluoro-3-nitroaniline
Name: 4-fluoro-3-nitroaniline
Synonyms:
General Information
Product Number: 364761
CAS Registry Number: 364-76-1
Name:
        Benzenamine, 4-​fluoro-​3-​nitro-
        Aniline, 4-​fluoro-​3-​nitro- (6CI,​7CI,​8CI); 3-​Nitro-​4-​fluoroaniline; 4-​Fluoro-​3-​nitroaniline; 4-​Fluoro-​3-​nitrobenzenamine; 4-​Fluoro-​3-​nitrophenylamine; NSC 10293 
 
Chemical Formula: C6H5FN2O2
Exact Mass: 156.03
Molecular Weight: 156.11
m/z: 156.03 (100.0%), 157.04 (6.6%)
Elemental Analysis: C, 46.16; H, 3.23; F, 12.17; N, 17.94; O, 20.50
 
InChI: InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
InChIKey: LLIOADBCFIXIEU-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1N)[N+](=O)[O-])F
 
Thermal Properties Value Condition Note
Melting Point 278-279 °C   (10)CAS
Melting Point 138.5 °C   (11)CAS
Melting Point 98 °C Solv: water (7732-18-5) (12)CAS
Melting Point 96.5 °C   (13)CAS
Melting Point 96 °C   (14)CAS

Specification

98%
References
  1. (1) Kaljurand, Ivari; Journal of Organic Chemistry 2005, V70(3), P1019-1028 CAPLUS
  2. (2) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  3. (3) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  4. (4) Sterk, Heinz; Organic Magnetic Resonance 1975, V7(6), P274-85 CAPLUS
  5. (5) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  6. (6) Gutowsky, H. S.; Journal of the American Chemical Society 1952, V74, P4809-17 CAPLUS
  7. (7) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  8. (8) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  9. (9) Hou, Jie; Chemistry Letters 2008, V37(9), P974-975 CAPLUS
  10. (10) Farooq, Mohammad Omar; Journal of the Indian Chemical Society 1933, V10, P465-70 CAPLUS
  11. (11) Swarts, Fred.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1915, V35, P131-53 CAPLUS
  12. (12) Neunhoeffer, Otto; Justus Liebigs Annalen der Chemie 1957, V610, P143-56 CAPLUS
  13. (13) Swarts, Fred.; Bulletin de la Classe des Sciences, Academie Royale de Belgique 1913, P241-78 CAPLUS
  14. (14) Blanksma, J. J.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1946, V65, P329-32 CAPLUS
  15. (15) Felpin, Francois-Xavier; Advanced Synthesis & Catalysis 2008, V350(6), P863-868 CAPLUS
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