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2,4-Dichloro-3,5-dinitrobenzotrifluoride - 97%, high purity , CAS No.29091-09-6

COA

Grade & Purity:

≥97%

Cas Number: 29091-09-6
Molecular Weight: 305
MDL number: MFCD00042480
PubChem CID: 94398
PubChem SID: 488186831

In stock

Item Number

D102120

Grouped product items
SKU	Size	Availability	Price
D102120-1g	1g	10	$69.90
D102120-5g	5g	9	$138.90
D102120-25g	25g	6	$224.90
D102120-100g	100g	9	$618.90
D102120-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,163.90

Basic Description

Synonyms	29091-09-6 \| 2,4-Dichloro-3,5-dinitrobenzotrifluoride \| 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene \| Benzene, 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)- \| 2,4-Dichloro-3,5-dinitro benzotrifluoride \| DTXSID7044639 \| UPF413436J \| UNII-UPF413436J \| EINECS 249-42
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Nitrobenzenes Nitroaromatic compounds Dichlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Alkyl fluoride - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
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	488186831
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186831
IUPAC Name	2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)benzene
INCHI	InChI=1S/C7HCl2F3N2O4/c8-4-2(7(10,11)12)1-3(13(15)16)5(9)6(4)14(17)18/h1H
InChIKey	DPQYRXNRGNLPFC-UHFFFAOYSA-N
Smiles	C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)C(F)(F)F
Isomeric SMILES	C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)C(F)(F)F
UN Number	3077
Molecular Weight	305
Reaxy-Rn	2062037
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2062037&ln=

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
H1231051	Certificate of Analysis	Jun 06, 2024	D102120
A2416281	Certificate of Analysis	Nov 25, 2023	D102120
A2416264	Certificate of Analysis	Nov 25, 2023	D102120
A2416266	Certificate of Analysis	Nov 25, 2023	D102120
A2416265	Certificate of Analysis	Nov 25, 2023	D102120
C2330907	Certificate of Analysis	Apr 12, 2023	D102120
D2228057	Certificate of Analysis	Mar 02, 2022	D102120
D2228049	Certificate of Analysis	Mar 02, 2022	D102120
D2228063	Certificate of Analysis	Mar 02, 2022	D102120
C2330919	Certificate of Analysis	Mar 02, 2022	D102120

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Flash Point(°F)	>230°F
Flash Point(°C)	>110°
Boil Point(°C)	291-294°C
Melt Point(°C)	74-78°
Molecular Weight	304.990 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	303.927 Da
Monoisotopic Mass	303.927 Da
Topological Polar Surface Area	91.600 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	356.000
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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