Methyl 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate - ≥97% , CAS No.757982-31-3

CAS: 757982-31-3 Cat. No.: M590098 Peso molecular: 280.1 Número EC: 847-477-9
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
METHYL 4-FLUORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE | EN300-363387 | SCHEMBL938124 | METHYL4-FLUORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE | 2-FLUORO-5-(METHOXYCARBONYL)BENZENEBORONIC ACID PINACOL ESTER | BS-29509 | me
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
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Size
Estado
Price
Qty
100mg
M590098-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

18,90US$

28,90US$
Guardar 10,00 US$ (34.60%)
250mg
M590098-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

40,90US$

61,90US$
Guardar 21,00 US$ (33.93%)
1g
M590098-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

59,90US$

89,90US$
Guardar 30,00 US$ (33.37%)
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice 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
METHYL 4-FLUORO-3-(4, 4, 5, 5-TETRAMETHYL-1, 3, 2-DIOXABOROLAN-2-YL)BENZOATE | EN300-363387 | SCHEMBL938124 | METHYL4-FLUORO-3-(4, 4, 5, 5-TETRAMETHYL-1, 3, 2-DIOXABOROLAN-2-YL)BENZOATE | 2-FLUORO-5-(METHOXYCARBONYL)BENZENEBORONIC ACID PINACOL ESTER | BS-29509 | me
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Desiccated
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥97%
Nombres e identificadores
Sonrisas canónicasB1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)OC)F
IUPAC Namemethyl 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChIKeyRLXGRSGYCMSWRW-UHFFFAOYSA-N
INCHI1S/C14H18BFO4/c1-13(2)14(3,4)20-15(19-13)10-8-9(12(17)18-5)6-7-11(10)16/h6-8H,1-5H3
Isómeros SMILES B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)OC)F
Peso molecular 280.1
Reaxy-Rn 14293382
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14293382&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
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoic acid esters
Alternative Parents 4-halobenzoic acids and derivatives  Benzoyl derivatives  Fluorobenzenes  Aryl fluorides  Methyl esters  Dioxaborolanes  Boronic acid esters  Oxacyclic compounds  Organic metalloid salts  Organooxygen compounds  Organometalloid compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Methyl ester - Carboxylic acid ester - Boronic acid derivative - Organoheterocyclic compound - Organic metalloid salt - Carboxylic acid derivative - Oxacycle - Organic metalloid moeity - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
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:
Propiedades químicas y físicas
Punto de fusión (°C)100-102°C
Peso molecular280.100 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass280.128 Da
Monoisotopic Mass280.128 Da
Topological Polar Surface Area44.800 Ų
Heavy Atom Count20
Formal Charge0
Complexity369.000
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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