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144851-63-8 molecular structure
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2,6-difluoro-3-methylaniline

ChemBase ID: 98148
Molecular Formular: C7H7F2N
Molecular Mass: 143.1339864
Monoisotopic Mass: 143.05465567
SMILES and InChIs

SMILES:
Nc1c(c(ccc1F)C)F
Canonical SMILES:
Fc1ccc(c(c1N)F)C
InChI:
InChI=1S/C7H7F2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3
InChIKey:
ZMNJSSZHDRBGNN-UHFFFAOYSA-N

Cite this record

CBID:98148 http://www.chembase.cn/molecule-98148.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-difluoro-3-methylaniline
IUPAC Traditional name
2,6-difluoro-3-methylaniline
Synonyms
2,6-Difluoro-3-methylaniline
3-Amino-2,4-difluorotoluene
2,6-Difluoro-m-toluidine
2,6-Difluoro-3-methylaniline
2,6-二氟-3-甲基苯胺
CAS Number
144851-63-8
EC Number
None
MDL Number
MFCD06660182
PubChem SID
162084608
PubChem CID
15017536

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15017536 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.91384  H Acceptors
H Donor LogD (pH = 5.5) 1.9431299 
LogD (pH = 7.4) 1.9431449  Log P 1.9431452 
Molar Refractivity 36.2324 cm3 Polarizability 12.657861 Å3
Polar Surface Area 26.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Toxic/Harmful/Irritant/Light Sensitive/Keep Cold expand Show data source
European Hazard Symbols
X expand Show data source
UN Number
UN2810 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/21/22-36/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H331-H302-H312-H315-H319 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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