1,2-Dibromobutane - ≥98% , CAS No.533-98-2

CAS: 533-98-2 Cat. No.: D102336 Formula: C2H5CH(Br)CH2Br Molecular Weight: 215.91 Beilstein Registry Number: 1(4)266 EC Number: 208-581-4
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
1,2-DIBROMOBUTANE | 1,2-dibromo-butane | NSC 6181 | Butane, 1,2-dibromo- | J-802009 | 8471F50VJI | DTXSID90870592 | 1,2-Dibromobutane, 97% | NSC6181 | NSC-6181 | SCHEMBL374715 | MFCD00000157 | 1,2-Butylene Bromide | AS-56865 | EN300-133999 | UNII-8471F50V
Storage
Room temperature
Shipped In
Normal
★
Size
Germany (EU)
USA*
Price
Qty
5g
D102336-5g
—
8 In stock
€12.93
25g
D102336-25g
—
3 In stock
€33.76
100g
D102336-100g
—
2 In stock
€126.60
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% 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.

Overview

Mechanism of Co(II) (N,N′-disalicylidene-ethylenediamine) catalyzed reduction of 1,2-dibromobutane in DMF has been investigated by microelectrode voltammetry

Specifications

Synonyms
1,2-DIBROMOBUTANE | 1,2-dibromo-butane | NSC 6181 | Butane, 1,2-dibromo- | J-802009 | 8471F50VJI | DTXSID90870592 | 1,2-Dibromobutane, 97% | NSC6181 | NSC-6181 | SCHEMBL374715 | MFCD00000157 | 1,2-Butylene Bromide | AS-56865 | EN300-133999 | UNII-8471F50V
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488181184
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181184
Canonical SmilesCCC(CBr)Br
IUPAC Name1,2-dibromobutane
InChIKeyCZWSZZHGSNZRMW-UHFFFAOYSA-N
INCHI1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3
Isomeric SMILES CCC(CBr)Br
WGK Germany 3
Molecular Weight 215.91
Beilstein 1(4)266
Reaxy-Rn 1731380
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731380&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
SuperclassOrganohalogen compounds
ClassOrganobromides
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentOrganobromides
Alternative Parents Hydrocarbon derivatives  Alkyl bromides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom.
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.

13 results found

Lot NumberCertificate TypeDateItem
A2329066Certificate of AnalysisAug 03, 2026 D102336
A2330429Certificate of AnalysisAug 03, 2026 D102336
I2608546Certificate of AnalysisJun 11, 2026 D102336
I2608547Certificate of AnalysisJun 11, 2026 D102336
I2608895Certificate of AnalysisJun 11, 2026 D102336
K2126323Certificate of AnalysisJun 11, 2025 D102336
J2214275Certificate of AnalysisJul 05, 2024 D102336
A1907034Certificate of AnalysisJun 06, 2024 D102336
L2201228Certificate of AnalysisNov 11, 2022 D102336
L2201235Certificate of AnalysisNov 11, 2022 D102336
L2201236Certificate of AnalysisNov 11, 2022 D102336
L2201237Certificate of AnalysisNov 11, 2022 D102336
L2201238Certificate of AnalysisNov 11, 2022 D102336

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Chemical and Physical Properties
Solubilityalcohol: miscible(lit.);water: insoluble(lit.)
Refractive Index1.5141
Flash Point(°F)235.4 °F
Flash Point(°C)>110°
Boil Point(°C)59-60 °C/20 mmHg
Melt Point(°C)-65°C
Molecular Weight215.910 g/mol
XLogP32.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass215.897 Da
Monoisotopic Mass213.899 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count6
Formal Charge0
Complexity28.700
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
Solution Calculators
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