5-Chloro-2,4-dinitrotoluene - CAS 51676-74-5

Name: 5-Chloro-2,4-dinitrotoluene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027550
Product Name:	5-Chloro-2,4-dinitrotoluene
CAS:	51676-74-5
Synonyms:	1-chloro-5-methyl-2,4-dinitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-chloro-5-methyl-2,4-dinitrobenzene
Description:	5-Chloro-2,4-dinitrotoluene (CAS# 51676-74-5) is a useful research chemical.
Molecular Weight:	216.58
Molecular Formula:	C7H5ClN2O4
Canonical SMILES:	CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl
InChI:	InChI=1S/C7H5ClN2O4/c1-4-2-5(8)7(10(13)14)3-6(4)9(11)12/h2-3H,1H3
InChI Key:	KPDPGZNHKMJEFZ-UHFFFAOYSA-N
Boiling Point:	334 °C at 760 mmHg
Density:	1.532 g/cm³
Appearance:	Light brown powder
MDL:	MFCD00041235
LogP:	3.51120

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[2006278-12-0]C13H9BrN2O
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[916792-07-9]C8H5BrFN
2-Bromo-4-fluoro-5-methylbenzonitrile
[5724-76-5]C7H9NO4
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

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GHS Hazard Statement:	H317 (90.48%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
JP-2019059701-A	Novel fluorine-containing diamine and fluorine-containing dinitro compound, and fluorine-containing polyamic acid and fluorine-containing polyimide including the same	20170928
WO-2017153952-A1	5-sulfamoyl-2-hydroxybenzamide derivatives	20160310
EP-3081581-A1	Diazoresin, photoresist composition and preparation method of photoresist composition	20150109
EP-3081581-B1	Diazoresin, photoresist composition and preparation method of photoresist composition	20150109
US-10303053-B2	Diazo-resin, photoresist composition and method of preparing same	20150109

Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.9937843
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.9937843
Rotatable Bond Count:	0
Topological Polar Surface Area:	91.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6