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

CAS: 452-67-5 Cat. No.: D120698 Molecular Weight: 128.12 Beilstein Registry Number: 2041492 EC Number: 207-205-6
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
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
Storage
Room temperature
Shipped In
Normal
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5g
D120698-5g
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25g
D120698-25g
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100g
D120698-100g
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid504754231
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504754231
Canonical SmilesCC1=C(C=CC(=C1)F)F
IUPAC Name1,4-difluoro-2-methylbenzene
InChIKeyYSNVKDGEALPJGC-UHFFFAOYSA-N
INCHI1S/C7H6F2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassHalobenzenes
Intermediate Tree Nodes Not available
Direct ParentFluorobenzenes
Alternative Parents Toluenes  Aryl fluorides  Organofluorides  Hydrofluorocarbons  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Toluene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate TypeDateItem
H2422143Certificate of AnalysisJun 24, 2024 D120698
H2422144Certificate of AnalysisJun 24, 2024 D120698
H2423207Certificate of AnalysisJun 24, 2024 D120698
H2423208Certificate of AnalysisJun 24, 2024 D120698
H2423209Certificate of AnalysisJun 24, 2024 D120698
J2222042Certificate of AnalysisOct 26, 2022 D120698
Chemical and Physical Properties
Refractive Index1.453
Flash Point(°F)12°C
Flash Point(°C)12°C
Boil Point(°C)117°C
Melt Point(°C)-35°C
Molecular Weight128.120 g/mol
XLogP33.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass128.044 Da
Monoisotopic Mass128.044 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity92.900
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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