4-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE-PHENYL-13C6

CAS No.
CCD No.
CCD01672683
Formula
C7 H4 F3 N O2
MolWeight
197.042

Basic Information

Product Name: 4-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE-PHENYL-13C6
English Synonyms: 4-NITROBENZOTRIFLUORIDE-13C6, (PHENYL-13C6) ; 4-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE-PHENYL-13C6
MDL Number.: MFCD12546015
H bond acceptor: 3
H bond donor: 0
Smile: [13cH]1[13cH][13c]([13cH][13cH][13c]1C(F)(F)F)[N+](=O)[O-]
InChi: InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1
InChiKey: InChIKey=XKYLCLMYQDFGKO-IDEBNGHGSA-N

Property

Melting Point: 38-40 DEG C
Physical Property: FLASHPOINT: 190.4 DEG F
FLASHPOINT: 88 DEG C
Comments: ASSAY METHOD: CP
MASS SHIFT: M+6
RIDADR: UN 3431 6.1/PG 2
WGK: 3
Information: ISOTOPIC PURITY: 99 ATOM % 13C
MW: 197.01 BY ATOM % CALCULATION

Safety information

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