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2 4-Difluoronitrobenzene

CAT: 0286-D25710-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-D25710-01Size:25 g
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CAS Number
446-35-5
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00007050
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

2,4-Difluoronitrobenzene

standard antigen; structure

CAS Number446-35-5
PubChem CID67967
IUPAC Name2,4-difluoro-1-nitrobenzene
Molecular FormulaC6H3F2NO2
Molecular Weight159.09
XLogP1.8
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity159
SMILES
C1=CC(=C(C=C1F)F)[N+](=O)[O-]
InChI
InChI=1S/C6H3F2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
InChIKey
RJXOVESYJFXCGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Difluoronitrobenzene
CAS: 446-35-5
CID: 67967
Formula: C6H3F2NO2
MW: 159.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.09
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass159.01318466
Monoisotopic Mass159.01318466
Topological Polar Surface Area45.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity159
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

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