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1-Methyl-2-nitro-4-(trifluoromethyl)benzene

1-Methyl-2-nitro-4-(trifluoromethyl)benzene - CAS 65754-26-9

Catalog:	BB032825
Product Name:	1-Methyl-2-nitro-4-(trifluoromethyl)benzene
CAS:	65754-26-9
Synonyms:	1-methyl-2-nitro-4-(trifluoromethyl)benzene; 1-methyl-2-nitro-4-(trifluoromethyl)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-methyl-2-nitro-4-(trifluoromethyl)benzene
Description:	1-Methyl-2-nitro-4-(trifluoromethyl)benzene (CAS# 65754-26-9) is a useful research chemical.
Molecular Weight:	205.13
Molecular Formula:	C8H6F3NO2
Canonical SMILES:	CC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]
InChI:	InChI=1S/C8H6F3NO2/c1-5-2-3-6(8(9,10)11)4-7(5)12(13)14/h2-4H,1H3
InChI Key:	VFERJFHPHSUIHY-UHFFFAOYSA-N
Boiling Point:	206.6 °C at 760 mmHg
Density:	1.357 g/cm³
MDL:	MFCD00272402
LogP:	3.44520

Publication Number	Title	Priority Date
EP-3640248-A1	Aminopyrimidine compound, preparation method therefor and use thereof	20170613
KR-20200011977-A	Aminopyrimidine Compounds, Methods for Making the Same, and Uses	20170613
TW-201904957-A	Aminopyrimidine compound, preparation method and use thereof	20170613
US-2020087296-A1	Aminopyrimidine compound, preparation method therefor and use thereof	20170613
WO-2018228446-A1	Aminopyrimidine compound, preparation method therefor and use thereof	20170613

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.03506292
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.03506292
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3