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1,3,5-Trifluoro-2-nitrobenzene - 96%, high purity , CAS No.315-14-0

COA

Grade & Purity:

≥96%

Cas Number: 315-14-0
Molecular Weight: 177.08
Beilstein Registry Number: 2106869
EC Number: 206-248-8
MDL number: MFCD00014687
PubChem CID: 67567
PubChem SID: 488183951

In stock

Item Number

T124131

Grouped product items
SKU	Size	Availability	Price
T124131-1g	1g	3	$9.90
T124131-5g	5g	3	$36.90
T124131-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$64.90
T124131-25g	25g	2	$156.90
T124131-100g	100g	2	$564.90

View related series

Non heterocyclic fluorine-containing block (1408) Synthetic block (741)

Basic Description

Synonyms	AKOS006223684 \| InChI=1/C6H2F3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H \| SY022995 \| W-106895 \| MFCD00014687 \| NSC 10247 \| NSC10247 \| NSC-10247 \| SCHEMBL17347356 \| 2,4,6 trifluoronitrobenzene \| A20886 \| Benzene, 1,3,5-trifluoro-2-nitro- \| 2,4,6-Trifluoronit
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Nitroaromatic compounds Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488183951
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183951
IUPAC Name	1,3,5-trifluoro-2-nitrobenzene
INCHI	InChI=1S/C6H2F3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
InChIKey	PWRFDGYYJWQIAB-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1F)[N+](=O)[O-])F)F
Isomeric SMILES	C1=C(C=C(C(=C1F)[N+](=O)[O-])F)F
WGK Germany	3
PubChem CID	67567
Molecular Weight	177.08
Beilstein	2106869
Reaxy-Rn	2106869

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
B2010109	Certificate of Analysis	Dec 21, 2023	T124131

Chemical and Physical Properties

Refractive Index	1.4770 - 1.4810
Flash Point(°F)	172.4 °F
Flash Point(°C)	78°C
Boil Point(°C)	172°C
Melt Point(°C)	3.5°C
Molecular Weight	177.080 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	177.004 Da
Monoisotopic Mass	177.004 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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