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CAS Number: 53451-87-9
N-phenyl-4-(trifluoromethyl)aniline

Structure

N-phenyl-4-(trifluoromethyl)aniline
Name: N-phenyl-4-(trifluoromethyl)aniline
Synonyms:
General Information
Product Number: 53451879

CAS Registry Number: 53451-87-9

Name:

Benzenamine, N-​phenyl-​4-​(trifluoromethyl)​-
4-​Trifluoromethyl-​N-​phenylaniline; N-​Phenyl-​4-​(trifluoromethyl)​aniline 

 

Chemical Formula: C13H10F3N
Exact Mass: 237.08
Molecular Weight: 237.22
m/z: 237.08 (100.0%), 238.08 (14.2%)
Elemental Analysis: C, 65.82; H, 4.25; F, 24.03; N, 5.90

 

InChI: InChI=1S/C13H10F3N/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9,17H
InChIKey: PCBLLVOSVHORQA-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C=C1)NC2=CC=C(C=C2)C(F)(F)F

 

Thermal Properties Value Condition Note
Melting Point 61-62 °C Solv: ethyl ether (60-29-7) (1)CAS
Melting Point 58-60 °C   (8)CAS
Melting Point 49-51 °C   (2)CAS

 

Specification

98%

References
  1. (1) Yu, Ying; Organic Letters 2004, V6(15), P2631-2634 CAPLUS
  2. (2) Fuwa, Haruhiko; Tetrahedron 2005, V61(17), P4297-4312 CAPLUS
  3. (3) Zhu, Mingzhao; Synthesis 2011, (14), P2223-2236 CAPLUS
  4. (4) Meng, Fei; Applied Organometallic Chemistry 2011, V25(5), P341-347 CAPLUS
  5. (5) Xie, Jianwei; European Journal of Organic Chemistry 2010, (17), P3219-3223, S3219/1-S3219/38 CAPLUS
  6. (6) Xie, Xiaomin; Synlett 2011, (7), P955-958 CAPLUS
  7. (7) Kantam, M. Lakshmi; Journal of Organic Chemistry 2006, V71(25), P9522-9524 CAPLUS
  8. (8) Zhu, Xinhai; European Journal of Organic Chemistry 2009, (5), P635-642 CAPLUS
  9. (9) Zheng, Zhang-Guo; Beilstein Journal of Organic Chemistry 2008, V4, PNo. 40, No pp. given CAPLUS
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