1-Nitro-4-(trifluoromethoxy)benzene - CAS 713-65-5

Catalog:	BB034365
Product Name:	1-Nitro-4-(trifluoromethoxy)benzene
CAS:	713-65-5
Synonyms:	1-nitro-4-(trifluoromethoxy)benzene; 1-nitro-4-(trifluoromethoxy)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-nitro-4-(trifluoromethoxy)benzene
Description:	1-Nitro-4-(trifluoromethoxy)benzene can be used to manufacture tobacco flavor.
Molecular Weight:	207.11
Molecular Formula:	C7H4F3NO3
Canonical SMILES:	C1=CC(=CC=C1[N+](=O)[O-])OC(F)(F)F
InChI:	InChI=1S/C7H4F3NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H
InChI Key:	UBEIKVUMDBCCRW-UHFFFAOYSA-N
Boiling Point:	87-89 °C (15 torr)
Density:	1.447 g/cm³
MDL:	MFCD00040302
LogP:	3.01660

Publication Number	Title	Priority Date
CN-111704549-A	Production method of p-nitrophenol	20200728
CN-111807965-A	Continuous production process of p-nitrophenol	20200728
CN-111807966-A	Method for separating p-nitrophenol	20200728
CN-109796346-A	A kind of method that nitro compound serialization adds hydrogen to prepare aromatic amine	20190124
EP-3717464-A1	Nitration	20181026

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.01432748
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.01432748
Rotatable Bond Count:	1
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2