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2,5-Difluorotoluene - 98%, high purity , CAS No.452-67-5

COA

Grade & Purity:

≥98%

Cas Number: 452-67-5
Molecular Weight: 128.12
Beilstein Registry Number: 2041492
EC Number: 207-205-6
MDL number: MFCD00000347
PubChem CID: 67980
PubChem SID: 504754231

In stock

Item Number

D120698

Grouped product items
SKU	Size	Availability	Price
D120698-5g	5g	2	$31.90
D120698-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$112.90
D120698-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$403.90

View related series

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

Basic Description

Synonyms	1,4-Difluoro-2-methylbenzene # \| D4042 \| AM20060400 \| Q63396382 \| TOLUENE, 2,5-DIFLUORO- \| NSC 25757 \| EN300-95447 \| FT-0610370 \| W-106152 \| AC-9823 \| MFCD00000347 \| 2,5-Difluorotolune \| A7131 \| UNII-7K9PUS3HC7 \| PS-11940 \| NSC25757 \| NSC-25757 \| 1,4-Difl
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Toluenes Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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	504754231
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754231
IUPAC Name	1,4-difluoro-2-methylbenzene
INCHI	InChI=1S/C7H6F2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey	YSNVKDGEALPJGC-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)F)F
Isomeric SMILES	CC1=C(C=CC(=C1)F)F
Molecular Weight	128.12
Beilstein	2041492
Reaxy-Rn	2041492
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041492&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
H2422143	Certificate of Analysis	Jun 24, 2024	D120698
H2422144	Certificate of Analysis	Jun 24, 2024	D120698
H2423207	Certificate of Analysis	Jun 24, 2024	D120698
H2423208	Certificate of Analysis	Jun 24, 2024	D120698
H2423209	Certificate of Analysis	Jun 24, 2024	D120698
J2222042	Certificate of Analysis	Oct 26, 2022	D120698

Chemical and Physical Properties

Refractive Index	1.453
Flash Point(°F)	12°C
Flash Point(°C)	12°C
Boil Point(°C)	117°C
Melt Point(°C)	-35°C
Molecular Weight	128.120 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	128.044 Da
Monoisotopic Mass	128.044 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	92.900
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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