1-Bromo-2-iodo-4-methylbenzene - ≥98% , CAS No.858841-53-9

CAS: 858841-53-9 Cat. No.: B195363 Molecular Weight: 296.93 EC Number: 688-213-0
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
MFCD07784420 | T71407 | DTXSID70584746 | 4-Bromo-3-iodotoluene | 1-Bromo-2-iodo-4-methylbenzene | DS-13546 | B5168 | SY051407 | Benzene,1-bromo-2-iodo-4-methyl- | AKOS015835229 | SCHEMBL1148097 | 4-Bromo-3-iodotoluene, 97% | EN300-3536590 | FLOUOTRVXNQGKP
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
B195363-250mg
3
$9.90
1g
B195363-1g
3
$10.90
5g
B195363-5g
3
$11.90
25g
B195363-25g
3

$31.90

$47.90
Save $16.00 (33.40%)
100g
B195363-100g
3

$102.90

$154.90
Save $52.00 (33.57%)
Enter a quantity for the sizes you want to add.
🧪

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.

Specifications

Synonyms
MFCD07784420 | T71407 | DTXSID70584746 | 4-Bromo-3-iodotoluene | 1-Bromo-2-iodo-4-methylbenzene | DS-13546 | B5168 | SY051407 | Benzene, 1-bromo-2-iodo-4-methyl- | AKOS015835229 | SCHEMBL1148097 | 4-Bromo-3-iodotoluene, 97% | EN300-3536590 | FLOUOTRVXNQGKP
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid504768312
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504768312
Canonical SmilesCC1=CC(=C(C=C1)Br)I
IUPAC Name1-bromo-2-iodo-4-methylbenzene
InChIKeyFLOUOTRVXNQGKP-UHFFFAOYSA-N
INCHI1S/C7H6BrI/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
Isomeric SMILES CC1=CC(=C(C=C1)Br)I
WGK Germany 3
Molecular Weight 296.93
Reaxy-Rn 3125632
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3125632&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 ParentIodobenzenes
Alternative Parents Toluenes  Bromobenzenes  Aryl iodides  Aryl bromides  Organoiodides  Organobromides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Toluene - Iodobenzene - Bromobenzene - Aryl iodide - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organoiodide - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.
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.

6 results found

Lot NumberCertificate TypeDateItem
L2208701Certificate of AnalysisSep 09, 2025 B195363
B2223264Certificate of AnalysisDec 18, 2024 B195363
B2223277Certificate of AnalysisDec 18, 2024 B195363
K1829073Certificate of AnalysisJul 05, 2024 B195363
K1829074Certificate of AnalysisJul 05, 2024 B195363
F2418044Certificate of AnalysisJan 03, 2022 B195363
Chemical and Physical Properties
SolubilityChloroform (Slightly), Ethyl Acetate (Slightly)
Sensitivitylight sensitive
Refractive Index1.65
Flash Point(°F)>230 °F
Flash Point(°C)>110 °C
Boil Point(°C)150 °C
Molecular Weight296.930 g/mol
XLogP33.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass295.87 Da
Monoisotopic Mass295.87 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.900
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
Reviews

Customer Reviews

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