1-Bromo-4-ethylbenzene - ≥98% , CAS No.1585-07-5

CAS: 1585-07-5 Cat. No.: B141181 Molecular Weight: 185.06 Beilstein Registry Number: 1856989 EC Number: 216-439-8
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
InChI=1/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H | 4-ETHYLPHENYL BROMIDE | p-Ethylbromobenzene | DTXSID0029218 | p-Ethyl bromo benzene | NCGC00248500-01 | AKOS000202637 | CAS-1585-07-5 | EN300-20008 | NSC60144 | NSC-60144 | 42LI8TAT6J | 4-Bromoethylbenzen
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
5g
B141181-5g
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$9.90

$14.90
Save $5.00 (33.56%)
10g
B141181-10g
2

$11.90

$17.90
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25g
B141181-25g
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$14.90

$22.90
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100g
B141181-100g
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$22.90

$34.90
Save $12.00 (34.38%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
InChI=1/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H, 2H2, 1H | 4-ETHYLPHENYL BROMIDE | p-Ethylbromobenzene | DTXSID0029218 | p-Ethyl bromo benzene | NCGC00248500-01 | AKOS000202637 | CAS-1585-07-5 | EN300-20008 | NSC60144 | NSC-60144 | 42LI8TAT6J | 4-Bromoethylbenzen
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid504752653
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752653
Canonical SmilesCCC1=CC=C(C=C1)Br
IUPAC Name1-bromo-4-ethylbenzene
InChIKeyURFPRAHGGBYNPW-UHFFFAOYSA-N
INCHI1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
Isomeric SMILES CCC1=CC=C(C=C1)Br
WGK Germany 3
Molecular Weight 185.06
Beilstein 1856989
Reaxy-Rn 1856989
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1856989&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.

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📊 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
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.

1 results found

Lot NumberCertificate TypeDateItem
E1605147Certificate of AnalysisJan 03, 2024 B141181
Chemical and Physical Properties
Refractive Index1.544
Flash Point(°F)145.4 °F
Flash Point(°C)63 °C
Boil Point(°C)204°C
Molecular Weight185.060 g/mol
XLogP33.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass183.989 Da
Monoisotopic Mass183.989 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity72.600
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. Xing-Ying Zheng, Tao Li, Hua-Wen Cai, Xin-Hui Wang, Xiao-Li Sun, Wen-Ming Wan.  (2024)  Polymerization-induced emission of borinic acid towards stimuli-responsive luminescent polymers.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.126996]
Solution Calculators
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