2-Bromobutyric acid - ≥98% , CAS No.80-58-0

CAS: 80-58-0 Cat. No.: B108037 Molecular Weight: 167 Beilstein Registry Number: 1720950 EC Number: 201-294-5
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
FT-0611544 | SY233336 | FT-0655662 | alpha-Bromobutyric acid | (+/-)-2-bromobutyric acid | AKOS000118937 | MFCD00004216 | EINECS 201-294-5 | Butyric acid, .alpha.-bromo- | MFCD00210111 | SB46765 | Butyric acid, alpha-bromo- | F2191-0227 | (+/-)-.ALPHA.-BR
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
25g
B108037-25g
2

$17.90

$26.90
Save $9.00 (33.46%)
100g
B108037-100g
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$46.90

$70.90
Save $24.00 (33.85%)
250g
B108037-250g
2

$102.90

$154.90
Save $52.00 (33.57%)
500g
B108037-500g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$165.90

$248.90
Save $83.00 (33.35%)
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Why this grade

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

🌡

Storage & shipping

Argon charged,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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
FT-0611544 | SY233336 | FT-0655662 | alpha-Bromobutyric acid | (+/-)-2-bromobutyric acid | AKOS000118937 | MFCD00004216 | EINECS 201-294-5 | Butyric acid, .alpha.-bromo- | MFCD00210111 | SB46765 | Butyric acid, alpha-bromo- | F2191-0227 | (+/-)-.ALPHA.-BR
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesCCC(C(=O)O)Br
IUPAC Name2-bromobutanoic acid
InChIKeyYAQLSKVCTLCIIE-UHFFFAOYSA-N
INCHI1S/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)
Isomeric SMILES CCC(C(=O)O)Br
WGK Germany 3
Molecular Weight 167
Beilstein 1720950
Reaxy-Rn 1720950
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720950&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
SuperclassLipids and lipid-like molecules
ClassFatty Acyls
SubclassFatty acids and conjugates
Intermediate Tree Nodes Not available
Direct ParentHalogenated fatty acids
Alternative Parents Alpha-halocarboxylic acids  Monocarboxylic acids and derivatives  Carboxylic acids  Organobromides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl bromides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Halogenated fatty acid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alkyl bromide - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br).
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.

11 results found

Lot NumberCertificate TypeDateItem
E2615136Certificate of AnalysisMay 21, 2026 B108037
D2615137Certificate of AnalysisApr 27, 2026 B108037
J2509127Certificate of AnalysisOct 13, 2025 B108037
C2215039Certificate of AnalysisSep 08, 2025 B108037
C2215040Certificate of AnalysisSep 08, 2025 B108037
C2215041Certificate of AnalysisSep 08, 2025 B108037
C2215045Certificate of AnalysisSep 08, 2025 B108037
F2301053Certificate of AnalysisMar 04, 2025 B108037
H2526228Certificate of AnalysisJul 22, 2024 B108037
H2526229Certificate of AnalysisJul 22, 2024 B108037
C1913112Certificate of AnalysisOct 19, 2022 B108037

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Chemical and Physical Properties
SolubilitySlightly soluble in water; Soluble in Alcohol,Ether
SensitivityAir sensitive
Refractive Index1.47
Flash Point(°C)>110°C
Boil Point(°C)99-103°/10mm
Melt Point(°C)-4°C(lit.)
Molecular Weight167.000 g/mol
XLogP31.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass165.963 Da
Monoisotopic Mass165.963 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count7
Formal Charge0
Complexity72.100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Hong Zhu, Chengdong Peng, Jiayi Li, Xuanyu Cao, Yuexiao Pan.  (2022)  A study on the reversible anion-exchange rate in perovskite CsPbX3 nanocrystals.  JOURNAL OF LUMINESCENCE,      [PMID:] [10.1016/j.jlumin.2022.119321]
Solution Calculators
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