1-Bromo-3-iodo-2-methylbenzene - ≥97% , CAS No.97456-81-0

CAS: 97456-81-0 Cat. No.: B590871 Molecular Weight: 296.93 EC Number: 884-295-9
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
Benzene, 1-bromo-3-iodo-2-methyl- | AMY28388 | DTXSID70540165 | FT-0721944 | AKOS015834925 | 2-Bromo-6-iodotoluene | AS-20100 | DAHKMTOSYFBPOX-UHFFFAOYSA-N | EN300-3536589 | SCHEMBL7610994 | 1-Bromo-3-iodo-2-methylbenzene | 1-bromo-3-iodo-2-methyl-benzene
Storage
Store at 2-8°C,Protected from light,Desiccated
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
B590871-1g
5

$9.90

$14.90
Save $5.00 (33.56%)
5g
B590871-5g
2

$23.90

$35.90
Save $12.00 (33.43%)
25g
B590871-25g
1

$97.90

$146.90
Save $49.00 (33.36%)
100g
B590871-100g
1

$390.90

$586.90
Save $196.00 (33.40%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Desiccated Ships Wet ice 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
Benzene, 1-bromo-3-iodo-2-methyl- | AMY28388 | DTXSID70540165 | FT-0721944 | AKOS015834925 | 2-Bromo-6-iodotoluene | AS-20100 | DAHKMTOSYFBPOX-UHFFFAOYSA-N | EN300-3536589 | SCHEMBL7610994 | 1-Bromo-3-iodo-2-methylbenzene | 1-bromo-3-iodo-2-methyl-benzene
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Protected from light, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesCC1=C(C=CC=C1I)Br
IUPAC Name1-bromo-3-iodo-2-methylbenzene
InChIKeyDAHKMTOSYFBPOX-UHFFFAOYSA-N
INCHI1S/C7H6BrI/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
Isomeric SMILES CC1=C(C=CC=C1I)Br
Alternate CAS 97456-81-0
Molecular Weight 296.93
Reaxy-Rn 3235503
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3235503&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.

4 results found

Lot NumberCertificate TypeDateItem
G2525218Certificate of AnalysisFeb 26, 2025 B590871
G2525219Certificate of AnalysisFeb 26, 2025 B590871
G2525220Certificate of AnalysisFeb 26, 2025 B590871
G2525221Certificate of AnalysisFeb 26, 2025 B590871
Chemical and Physical Properties
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

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.