5-Bromo-1,2,4-trimethylbenzene - ≥99% , CAS No.5469-19-2

CAS: 5469-19-2 Cat. No.: B138979 Molecular Weight: 199.09 EC Number: 226-793-5
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
J-516775 | 5-bromo- 1,2,4-trimethylbenzene | AM20040690 | Z1250002649 | 1-Bromo-2,4,5-trimethylbenzene # | AS-60105 | InChI=1/C9H11Br/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,1-3H | 1-Bromo-2,4,5-trimethylbenzene | AKOS015889075 | SCHEMBL133345 | SY078818 | 5-Bromo-
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
B138979-1g
7
$9.90
5g
B138979-5g
6

$19.90

$23.90
Save $4.00 (16.74%)
25g
B138979-25g
4

$59.90

$90.90
Save $31.00 (34.10%)
100g
B138979-100g
4

$231.90

$278.90
Save $47.00 (16.85%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥99% 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

application:

5-Bromo-1,2,4-trimethylbenzene was used in the preparation of:

1′,2′-dideoxy-1′-(1,2,4-trimethylphenyl)-3′,5′-di-O-toluoyl-β-D-ribofuranose

ubiquinones, also referred as Coenzyme Qn

2, 4, 5-trimethylbenzoic acid


Specifications

Synonyms
J-516775 | 5-bromo- 1, 2, 4-trimethylbenzene | AM20040690 | Z1250002649 | 1-Bromo-2, 4, 5-trimethylbenzene # | AS-60105 | InChI=1/C9H11Br/c1-6-4-8(3)9(10)5-7(6)2/h4-5H, 1-3H | 1-Bromo-2, 4, 5-trimethylbenzene | AKOS015889075 | SCHEMBL133345 | SY078818 | 5-Bromo-
Specifications & Purity
≥99%
Storage
Room temperature
Shipped In
Normal
Purity
≥99%
Names and Identifiers
Pubchem Sid488185752
Canonical SmilesCC1=CC(=C(C=C1C)Br)C
IUPAC Name1-bromo-2,4,5-trimethylbenzene
InChIKeySCZXFZRJDVZMJI-UHFFFAOYSA-N
INCHI1S/C9H11Br/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,1-3H3
Isomeric SMILES CC1=CC(=C(C=C1C)Br)C
WGK Germany 3
Molecular Weight 199.09
Reaxy-Rn 2077586
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2077586&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
SubclassHalobenzenes
Intermediate Tree Nodes Not available
Direct ParentBromobenzenes
Alternative Parents Aryl bromides  Organobromides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
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
J2527083Certificate of AnalysisOct 29, 2025 B138979
B2219183Certificate of AnalysisSep 09, 2025 B138979
B2219203Certificate of AnalysisSep 09, 2025 B138979
B2221339Certificate of AnalysisSep 09, 2025 B138979
B2221353Certificate of AnalysisSep 09, 2025 B138979
E2327506Certificate of AnalysisMar 05, 2025 B138979
H2120178Certificate of AnalysisJun 06, 2023 B138979
H2120179Certificate of AnalysisJun 06, 2023 B138979
Chemical and Physical Properties
Boil Point(°C)233-235 °C
Melt Point(°C)71-73 °C
Molecular Weight199.090 g/mol
XLogP33.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass198.004 Da
Monoisotopic Mass198.004 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count10
Formal Charge0
Complexity111.000
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
Solution Calculators
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Customer Reviews

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