[[(7-Bromoheptyl)oxy]methyl]benzene - ≥98% , CAS No.94427-22-2

CAS: 94427-22-2 Cat. No.: B405455 Molecular Weight: 285.23 EC Number: 878-408-0
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
{[(7-BROMOHEPTYL)OXY]METHYL}BENZENE | Benzene, [[(7-bromoheptyl)oxy]methyl]- | B6162 | DTXSID10741694 | (((7-Bromoheptyl)oxy)methyl)benzene | [[(7-Bromoheptyl)oxy]methyl]benzene | 7-bromoheptoxymethylbenzene | MFCD32706703 | SCHEMBL7564811 | D75987
Storage
Room temperature
Size
Status
Price
Qty
100mg
B405455-100mg
2

$37.90

$56.90
Save $19.00 (33.39%)
250mg
B405455-250mg
3

$65.90

$98.90
Save $33.00 (33.37%)
1g
B405455-1g
2

$180.90

$271.90
Save $91.00 (33.47%)
5g
B405455-5g
1

$678.90

$1,018.90
Save $340.00 (33.37%)
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 Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
{[(7-BROMOHEPTYL)OXY]METHYL}BENZENE | Benzene, [[(7-bromoheptyl)oxy]methyl]- | B6162 | DTXSID10741694 | (((7-Bromoheptyl)oxy)methyl)benzene | [[(7-Bromoheptyl)oxy]methyl]benzene | 7-bromoheptoxymethylbenzene | MFCD32706703 | SCHEMBL7564811 | D75987
Specifications & Purity
≥98%
Storage
Room temperature
Purity
≥98%
Names and Identifiers
Pubchem Sid488202150
Canonical SmilesC1=CC=C(C=C1)COCCCCCCCBr
IUPAC Name7-bromoheptoxymethylbenzene
InChIKeyBZMIZZYCYWAKIC-UHFFFAOYSA-N
INCHI1S/C14H21BrO/c15-11-7-2-1-3-8-12-16-13-14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13H2
Isomeric SMILES C1=CC=C(C=C1)COCCCCCCCBr
Molecular Weight 285.23
Reaxy-Rn 5514011
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5514011&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.

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🔬 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
SubclassBenzylethers
Intermediate Tree Nodes Not available
Direct ParentBenzylethers
Alternative Parents Dialkyl ethers  Organobromides  Hydrocarbon derivatives  Alkyl bromides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzylether - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=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.

8 results found

Lot NumberCertificate TypeDateItem
H2303291Certificate of AnalysisJul 17, 2023 B405455
H2303297Certificate of AnalysisJul 17, 2023 B405455
H2303299Certificate of AnalysisJul 17, 2023 B405455
H2303300Certificate of AnalysisJul 17, 2023 B405455
H2303312Certificate of AnalysisJul 17, 2023 B405455
H2303317Certificate of AnalysisJul 17, 2023 B405455
H2303321Certificate of AnalysisJul 17, 2023 B405455
H2303332Certificate of AnalysisJul 17, 2023 B405455
Chemical and Physical Properties
Flash Point(°C)152 °C
Molecular Weight285.220 g/mol
XLogP34.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Exact Mass284.078 Da
Monoisotopic Mass284.078 Da
Topological Polar Surface Area9.200 Ų
Heavy Atom Count16
Formal Charge0
Complexity144.000
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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