2,4-Dinitro-5-fluorotoluene - CAS 349-01-9

Name: 2,4-Dinitro-5-fluorotoluene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022350
Product Name:	2,4-Dinitro-5-fluorotoluene
CAS:	349-01-9
Synonyms:	1-fluoro-5-methyl-2,4-dinitrobenzene; 1-fluoro-5-methyl-2,4-dinitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-fluoro-5-methyl-2,4-dinitrobenzene
Description:	2,4-Dinitro-5-fluorotoluene (CAS# 349-01-9) is a useful research chemical.
Molecular Weight:	200.12
Molecular Formula:	C7H5FN2O4
Canonical SMILES:	CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F
InChI:	InChI=1S/C7H5FN2O4/c1-4-2-5(8)7(10(13)14)3-6(4)9(11)12/h2-3H,1H3
InChI Key:	CMIMRMOSIVTUAA-UHFFFAOYSA-N
Boiling Point:	319 °C at 760 mmHg
Density:	1.497 g/cm³
MDL:	MFCD00205111
LogP:	2.99690

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile
[13021-14-2]C10H15N
2,4,6-Trimethyl-N-methylaniline

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
AU-2014276394-A1	Compounds of '3-(5-substituted oxy-2,4-dinitro-phenyl)-2-oxo-propionic acid ester', process and applications thereof	20130606
EP-3004047-A1	Compounds of '3-(5-sustituted oxy-2,4-dinitro-phenyl)-2-oxo-propionic acid ester', process and applications thereof	20130606
EP-3004047-B1	Compounds of '3-(5-substituted oxy-2,4-dinitro-phenyl)-2-oxo-propionic acid ester', process and applications thereof	20130606
JP-2016521703-A	Compound of â€œ3- (5-substitutedoxy-2,4-dinitro-phenyl) -2-oxo-propionic esterâ€?, process and use thereof	20130606
JP-6114881-B2	Compound of â€œ3- (5-substitutedoxy-2,4-dinitro-phenyl) -2-oxo-propionic esterâ€?, process and use thereof	20130606

Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.02333481
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	200.02333481
Rotatable Bond Count:	0
Topological Polar Surface Area:	91.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2