3-Bromo-4-fluorotoluene - ≥99% , CAS No.452-62-0

CAS: 452-62-0 Cat. No.: B120742 Peso molecular: 189.02 Beilstein Registry Number: 1680604 Número EC: 207-201-4
Disponible para pedir
GRADE & PURITY ≥99%
Synonyms
valine benzyl ester hydrochloride | EN300-28934 | SY016043 | 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide | 2-bromo-1-fluoro-4-methylbenzene | NSC88313 | QLRKALMVPCQTMU-UHFFFAOYSA-N | AKOS005145620 | FT-06
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5g
B120742-5g
5

9,90US$

14,90US$
Guardar 5,00 US$ (33.56%)
25g
B120742-25g
3

18,90US$

28,90US$
Guardar 10,00 US$ (34.60%)
100g
B120742-100g
3

39,90US$

59,90US$
Guardar 20,00 US$ (33.39%)
500g
B120742-500g
1

149,90US$

224,90US$
Guardar 75,00 US$ (33.35%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Specifications

Sinónimos
valine benzyl ester hydrochloride | EN300-28934 | SY016043 | 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide | 2-bromo-1-fluoro-4-methylbenzene | NSC88313 | QLRKALMVPCQTMU-UHFFFAOYSA-N | AKOS005145620 | FT-06
Especificaciones y pureza
≥99%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥99%
Nombres e identificadores
Pubchem Sid488187016
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488187016
Sonrisas canónicasCC1=CC(=C(C=C1)F)Br
IUPAC Name2-bromo-1-fluoro-4-methylbenzene
InChIKeyQLRKALMVPCQTMU-UHFFFAOYSA-N
INCHI1S/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
Isómeros SMILES CC1=CC(=C(C=C1)F)Br
WGK Alemania 3
Peso molecular 189.02
Beilstein 1680604
Reaxy-Rn 1680604
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1680604&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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassHalobenzenes
Intermediate Tree Nodes Not available
Direct ParentFluorobenzenes
Alternative Parents Toluenes  Bromobenzenes  Aryl fluorides  Aryl bromides  Organofluorides  Organobromides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Toluene - Fluorobenzene - Bromobenzene - Aryl halide - Aryl fluoride - Aryl bromide - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

9 results found

Lot NumberCertificate TypeFechaArticulo
L1220044Certificate of AnalysisFeb 05, 2026 B120742
E2325317Certificate of AnalysisFeb 07, 2025 B120742
E2325319Certificate of AnalysisFeb 07, 2025 B120742
E2325323Certificate of AnalysisFeb 07, 2025 B120742
E2325326Certificate of AnalysisFeb 07, 2025 B120742
E2325327Certificate of AnalysisFeb 07, 2025 B120742
C2526448Certificate of AnalysisJun 24, 2024 B120742
C2526449Certificate of AnalysisJun 24, 2024 B120742
C2313404Certificate of AnalysisApr 06, 2023 B120742
Propiedades químicas y físicas
Índice de refracción1.531
Punto de inflamación (°F)163.4 °F
Punto de inflamación (°C)73℃
Punto de ebullición (°C)168-170°C
Peso molecular189.020 g/mol
XLogP33.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass187.964 Da
Monoisotopic Mass187.964 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.900
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
Calculadoras de soluciones
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