2,8-Dibromodibenzothiophene - ≥96% , CAS No.31574-87-5

CAS: 31574-87-5 Cat. No.: D121518 Molecular Weight: 342.05 Beilstein Registry Number: 17(5)2,246 EC Number: 636-527-3
AVAILABLE TO ORDER
GRADE & PURITY ≥96%
Synonyms
A851598 | 2,8-Dibromodibenzothiophene | 2,8-dibromo-dibenzothiophene | 2,8-dibromodibenzo-thiophene | AKOS002709882 | Dibenzothiophene, 2,8-dibromo- | SY031565 | SCHEMBL216673 | F17320 | 2,8-dibromodibenzo[b]thiophene | MFCD00092755 | 2,8-Dibromodibenzo[b
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
D121518-1g
3

$9.90

$14.90
Save $5.00 (33.56%)
5g
D121518-5g
3

$12.90

$19.90
Save $7.00 (35.18%)
25g
D121518-25g
3

$53.90

$80.90
Save $27.00 (33.37%)
100g
D121518-100g
2

$214.90

$322.90
Save $108.00 (33.45%)
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Why this grade

≥96% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
A851598 | 2, 8-Dibromodibenzothiophene | 2, 8-dibromo-dibenzothiophene | 2, 8-dibromodibenzo-thiophene | AKOS002709882 | Dibenzothiophene, 2, 8-dibromo- | SY031565 | SCHEMBL216673 | F17320 | 2, 8-dibromodibenzo[b]thiophene | MFCD00092755 | 2, 8-Dibromodibenzo[b
Specifications & Purity
≥96%
Storage
Room temperature
Shipped In
Normal
Purity
≥96%
Names and Identifiers
Pubchem Sid504759595
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504759595
Canonical SmilesC1=CC2=C(C=C1Br)C3=C(S2)C=CC(=C3)Br
IUPAC Name2,8-dibromodibenzothiophene
InChIKeyWNEXSUAHKVAPFK-UHFFFAOYSA-N
INCHI1S/C12H6Br2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H
Isomeric SMILES C1=CC2=C(C=C1Br)C3=C(S2)C=CC(=C3)Br
Molecular Weight 342.05
Beilstein 17(5)2,246
Reaxy-Rn 170478
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=170478&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
ClassBenzene and substituted derivatives
SubclassBiphenyls and derivatives
Intermediate Tree Nodes Brominated biphenyls
Direct ParentPolybrominated biphenyls
Alternative Parents Dibenzothiophenes  1-benzothiophenes  Aryl bromides  Thiophenes  Heteroaromatic compounds  Organobromides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Polybrominated biphenyl - Dibenzothiophene - 1-benzothiophene - Benzothiophene - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by 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.

8 results found

Lot NumberCertificate TypeDateItem
D1924110Certificate of AnalysisJun 15, 2026 D121518
I1418051Certificate of AnalysisDec 22, 2025 D121518
F1403061Certificate of AnalysisDec 22, 2025 D121518
C2201565Certificate of AnalysisSep 08, 2025 D121518
C2202034Certificate of AnalysisSep 08, 2025 D121518
C2202035Certificate of AnalysisSep 08, 2025 D121518
L2416324Certificate of AnalysisDec 25, 2024 D121518
L2405020Certificate of AnalysisDec 11, 2023 D121518
Chemical and Physical Properties
Melt Point(°C)226 °C
Molecular Weight342.050 g/mol
XLogP35.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass341.854 Da
Monoisotopic Mass339.856 Da
Topological Polar Surface Area28.200 Ų
Heavy Atom Count15
Formal Charge0
Complexity222.000
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
Citations of This Product
References
1. Qinghong Bai, Yu Xia, Yukun Kang, Ying Yang, Yahui Yang, Li Zeng, Chun Liu, Xin Xiao.  (2026)  Cucurbit[8]uril-mediated fluorescent indicator displacement: a novel “turn-on” fluorescent probe for gentamicin detection in water and food samples.  FOOD CHEMISTRY,      [PMID:41539194] [10.1016/j.foodchem.2026.147913]
Solution Calculators
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