1-Chloro-2-methylbutane - ≥95% , CAS No.616-13-7

CAS: 616-13-7 Cat. No.: C153548 Molecular Weight: 106.59 EC Number: 210-466-9
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
D89411 | 1-chloranyl-2-methyl-butane | 1-Chloro-2-methylbutane, 96% | 1-Chloro-2-methylbutane | Butane, 1-chloro-2-methyl-, (S)- | FT-0632576 | BS-44170 | A833332 | EN300-60819 | AKOS009157242 | DTXSID10883245 | EINECS 210-466-9 | MFCD00039366 | SCHEMBL78
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
C153548-1g
3
$17.90
5g
C153548-5g
3
$57.90
25g
C153548-25g
3
$260.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% 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.

📚

Literature proof

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

Overview

Product Describtion:

1-Chloro-2-methylbutane is a halogenated organic building block. It can be synthesized by employing 2-methylbutanol as starting reagent. Grignard reagent derived from (+)-1-chloro-2-methylbutane may be employed for the preparation of partially optically active (-)-alkylphenylcarbinols and partially optically active secondary carbinols. Infrared and Raman spectra of its optically active form (+)(S)-1-chloro-2-methylbutane in various phases (liquid, glass and crystal) have been evaluated.

Specifications

Synonyms
D89411 | 1-chloranyl-2-methyl-butane | 1-Chloro-2-methylbutane, 96% | 1-Chloro-2-methylbutane | Butane, 1-chloro-2-methyl-, (S)- | FT-0632576 | BS-44170 | A833332 | EN300-60819 | AKOS009157242 | DTXSID10883245 | EINECS 210-466-9 | MFCD00039366 | SCHEMBL78
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Pubchem Sid504752241
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752241
Canonical SmilesCCC(C)CCl
IUPAC Name1-chloro-2-methylbutane
InChIKeyIWAKWOFEHSYKSI-UHFFFAOYSA-N
INCHI1S/C5H11Cl/c1-3-5(2)4-6/h5H,3-4H2,1-2H3
Isomeric SMILES CCC(C)CCl
WGK Germany 3
Molecular Weight 106.59
Reaxy-Rn 1445990
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1445990&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.

6 results found

Lot NumberCertificate TypeDateItem
K2307009Certificate of AnalysisSep 20, 2023 C153548
K2307017Certificate of AnalysisSep 20, 2023 C153548
K2307023Certificate of AnalysisSep 20, 2023 C153548
K2307037Certificate of AnalysisSep 20, 2023 C153548
K2307041Certificate of AnalysisSep 20, 2023 C153548
K2307056Certificate of AnalysisSep 20, 2023 C153548
Chemical and Physical Properties
Refractive Index1.41
Flash Point(°F)32 °F
Flash Point(°C)0°C(lit.)
Boil Point(°C)99°C(lit.)
Molecular Weight106.590 g/mol
XLogP32.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass106.055 Da
Monoisotopic Mass106.055 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count6
Formal Charge0
Complexity27.100
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
Reviews

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