α-Bromo-γ-valerolactone, mixture of cis and trans - ≥97% , CAS No.25966-39-6

CAS: 25966-39-6 Cat. No.: B469009 Peso molecular: 179.01 Número EC: 247-380-6

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Disponible para pedir

GRADE & PURITY ≥97%

Synonyms

.alpha.-Bromo-.gamma.-valerolactone | 3-bromo-5-methyloxolan-2-one | SCHEMBL1449058 | F8881-0145 | J-016195 | 3-bromo-5-methyldihydrofuran-2(3h)-one | 2(3H)-Furanone, 3-bromodihydro-5-methyl- | NSC 91486 | FT-0638561 | alpha-Bromo-gamma-valerolactone | NC

Storage

Room temperature

Descripción general Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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Why this grade

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

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Storage & shipping

Room temperature Ships 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.

Descripción general

Description

α-Bromo-γ-valerolactone was used in the synthesis of α-(2-ethoxythiocarbonylthio)-γ-valerolactone.

Specifications

Sinónimos

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas	CC1CC(C(=O)O1)Br
IUPAC Name	3-bromo-5-methyloxolan-2-one
InChIKey	FLOKBGAYTGLYGR-UHFFFAOYSA-N
INCHI	1S/C5H7BrO2/c1-3-2-4(6)5(7)8-3/h3-4H,2H2,1H3
Isómeros SMILES	CC1CC(C(=O)O1)Br
WGK Alemania	3
Peso molecular	179.01
Reaxy-Rn	108779
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108779&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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Clase Lactones
    - Subclass Gamma butyrolactones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Lactones
Subclass	Gamma butyrolactones
Intermediate Tree Nodes	Not available
Direct Parent	Gamma butyrolactones
Alternative Parents	Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Gamma butyrolactone - Tetrahydrofuran - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organobromide - Organohalogen compound - Alkyl bromide - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Aliphatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
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

Estructura 3D

Objetivos asociados (humanos)

A498 (42825 Activities)

Punto de inflamación (°F)	235.4 °F
Punto de inflamación (°C)	113 °C
Peso molecular	179.010 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	177.963 Da
Monoisotopic Mass	177.963 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	113.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1