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120940-43-4 molecular structure
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1-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine

ChemBase ID: 7712
Molecular Formular: C8H8F3N3O2
Molecular Mass: 235.1632296
Monoisotopic Mass: 235.05686117
SMILES and InChIs

SMILES:
c1c(cc(c(c1)N(N)C)[N+](=O)[O-])C(F)(F)F
Canonical SMILES:
[O-][N+](=O)c1cc(ccc1N(N)C)C(F)(F)F
InChI:
InChI=1S/C8H8F3N3O2/c1-13(12)6-3-2-5(8(9,10)11)4-7(6)14(15)16/h2-4H,12H2,1H3
InChIKey:
GBBAZCATUSUQOJ-UHFFFAOYSA-N

Cite this record

CBID:7712 http://www.chembase.cn/molecule-7712.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
IUPAC Traditional name
1-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
Synonyms
N-Methyl-N-[2-nitro-4-(trifluoromethyl)phenyl] hydrazine
N-Methyl-N-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine 97%
N-Methyl-N-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
N-甲基-N-[2-硝基-4-(三氟甲基)苯基]肼
CAS Number
120940-43-4
MDL Number
MFCD00052691
PubChem SID
160971019
PubChem CID
2775458

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2775458 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0959237  LogD (pH = 7.4) 2.22767 
Log P 2.2296371  Molar Refractivity 61.8642 cm3
Polarizability 18.010746 Å3 Polar Surface Area 72.4 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
64-67°C expand Show data source
68-70°C expand Show data source
Boiling Point
68-70°C expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A 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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