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2,6-difluoro-3-methylaniline

CAT: 1266-JH146236Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH146236Size:1 Each
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CAS Number
144851-63-8
UN Code
UN 1993
Hazard Statement
Xn
Stability
Stable. Incompatible with strong oxidizing agents. May be moisture sensitive.
Molecular Formula
C7H7F2N
Molecular Weight
143.13
Product Name Synonym
JRD-1610
Physical Properties
Light yellow liquid
Hazardous Class
3
Safety Statements
S16-S26-S27-S36/37/39
Density
1.388
Flash Point
53oC
RIDADR
UN 1993
Melting Point
144-147oC (lit.)

Chemical Information

2,6-Difluoro-3-methylaniline
CAS Number144851-63-8
PubChem CID15017536
IUPAC Name2,6-difluoro-3-methylaniline
Molecular FormulaC7H7F2N
Molecular Weight143.13
XLogP1.8
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity118
SMILES
CC1=C(C(=C(C=C1)F)N)F
InChI
InChI=1S/C7H7F2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3
InChIKey
ZMNJSSZHDRBGNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Difluoro-3-methylaniline
CAS: 144851-63-8
CID: 15017536
Formula: C7H7F2N
MW: 143.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight143.13
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass143.05465555
Monoisotopic Mass143.05465555
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity118
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes