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341-58-2 molecular structure
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4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline

ChemBase ID: 9818
Molecular Formular: C14H10F6N2
Molecular Mass: 320.2330192
Monoisotopic Mass: 320.07481765
SMILES and InChIs

SMILES:
c1(c2c(cc(cc2)N)C(F)(F)F)c(cc(cc1)N)C(F)(F)F
Canonical SMILES:
Nc1ccc(c(c1)C(F)(F)F)c1ccc(cc1C(F)(F)F)N
InChI:
InChI=1S/C14H10F6N2/c15-13(16,17)11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)14(18,19)20/h1-6H,21-22H2
InChIKey:
NVKGJHAQGWCWDI-UHFFFAOYSA-N

Cite this record

CBID:9818 http://www.chembase.cn/molecule-9818.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline
IUPAC Traditional name
4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline
Synonyms
2,2'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-diamine
2,2'-Bis(trifluoromethyl)-4,4'-diaminobiphenyl
2,2'-Bis(trifluoromethyl)benzidine 97%
2,2'-Bis(trifluoromethyl)benzidine
CAS Number
341-58-2
MDL Number
MFCD00190155
PubChem SID
160973125
PubChem CID
629349

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.714876  LogD (pH = 7.4) 3.7182727 
Log P 3.7183163  Molar Refractivity 72.5424 cm3
Polarizability 25.809351 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
180-181°C expand Show data source
Storage Warning
IRRITANT-HARMFUL expand Show data source
Toxic expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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