3-(Chloromethyl)heptane - ≥98% , CAS No.123-04-6

CAS: 123-04-6 Cat. No.: C102335 Molecular Weight: 148.67 Beilstein Registry Number: 1(4)430 EC Number: 204-594-4
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GRADE & PURITY ≥98%
Synonyms
EN300-673941 | FT-0612281 | MFCD00018940 | InChI=1/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3 | 4-01-00-00430 (Beilstein Handbook Reference) | UNII-1T84ZY4DN7 | AI3-28590 | 2-ethylhexylchloride | 1T84ZY4DN7 | 3-Chloromethylheptane | 3-chloromethyl-heptane
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
5g
C102335-5g
4

$9.90

$14.90
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25g
C102335-25g
8

$13.90

$20.90
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100g
C102335-100g
4

$38.90

$58.90
Save $20.00 (33.96%)
500g
C102335-500g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$116.90

$175.90
Save $59.00 (33.54%)
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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.

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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
EN300-673941 | FT-0612281 | MFCD00018940 | InChI=1/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H, 3-7H2, 1-2H3 | 4-01-00-00430 (Beilstein Handbook Reference) | UNII-1T84ZY4DN7 | AI3-28590 | 2-ethylhexylchloride | 1T84ZY4DN7 | 3-Chloromethylheptane | 3-chloromethyl-heptane
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488183145
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488183145
Canonical SmilesCCCCC(CC)CCl
IUPAC Name3-(chloromethyl)heptane
InChIKeyWLVCBAMXYMWGLJ-UHFFFAOYSA-N
INCHI1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
Isomeric SMILES CCCCC(CC)CCl
RTECS MI8760000
Molecular Weight 148.67
Beilstein 1(4)430
Reaxy-Rn 1697456
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697456&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
SuperclassOrganohalogen compounds
ClassOrganochlorides
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentOrganochlorides
Alternative Parents Hydrocarbon derivatives  Alkyl chlorides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
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.

15 results found

Lot NumberCertificate TypeDateItem
E2218200Certificate of AnalysisMar 10, 2026 C102335
E2218201Certificate of AnalysisMar 10, 2026 C102335
E2218202Certificate of AnalysisMar 10, 2026 C102335
G23211248Certificate of AnalysisJun 30, 2023 C102335
G23211265Certificate of AnalysisJun 30, 2023 C102335
G23211267Certificate of AnalysisJun 30, 2023 C102335
G23211271Certificate of AnalysisJun 30, 2023 C102335
G2321201Certificate of AnalysisJun 30, 2023 C102335
G2321206Certificate of AnalysisJun 30, 2023 C102335
G2321225Certificate of AnalysisJun 30, 2023 C102335
G2321238Certificate of AnalysisJun 30, 2023 C102335
B2318413Certificate of AnalysisFeb 24, 2023 C102335
B2318414Certificate of AnalysisMar 15, 2022 C102335
C2320557Certificate of AnalysisMar 15, 2022 C102335
E2218197Certificate of AnalysisMar 15, 2022 C102335

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Chemical and Physical Properties
Refractive Index1.432-1.436
Flash Point(°C)60°C
Boil Point(°C)166-168°C
Molecular Weight148.670 g/mol
XLogP34.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Exact Mass148.102 Da
Monoisotopic Mass148.102 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity52.500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
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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