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1-Chlorobutane - standard for GC,≥99.8%(GC), high purity , CAS No.109-69-3

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Item Number
C118434
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SKU Size
Availability
Price Qty
C118434-5ml
5ml
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$32.90
C118434-25ml
25ml
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$134.90

Basic Description

Synonyms DTXCID00206 | BUTYLCHORIDE | A802074 | EN300-19284 | 4-01-00-00246 (Beilstein Handbook Reference) | CCRIS 1389 | NBC Kaps Wormer | n-Chlorobutane [UN1127] [Flammable liquid] | Tox21_200865 | CHLOROBUTANES | NCGC00258419-01 | HSDB 4167 | MFCD00001009 | 1-
Specifications & Purity Standard for GC, ≥99.8%(GC)
Storage Temp Room temperature
Shipped In Normal
Grade Standard for GC

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organohalogen compounds
Class Organochlorides
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Organochlorides
Alternative Parents Hydrocarbon derivatives  Alkyl chlorides  
Molecular Framework Aliphatic acyclic compounds
Substituents Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description This 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

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Aspergillus nidulans (364 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 1-chlorobutane
INCHI InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3
InChIKey VFWCMGCRMGJXDK-UHFFFAOYSA-N
Smiles CCCCCl
Isomeric SMILES CCCCCl
WGK Germany 2
RTECS EJ6300000
UN Number 1127
Packing Group II
Molecular Weight 92.57
Beilstein 1730909
Reaxy-Rn 1730909
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730909&ln=

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.

3 results found

Lot Number Certificate Type Date Item
L2216629 Certificate of Analysis Sep 18, 2024 C118434
L2216631 Certificate of Analysis Sep 18, 2024 C118434
A2002112 Certificate of Analysis Aug 07, 2023 C118434

Chemical and Physical Properties

Solubility Not soluble in water, but miscible with most organic solvents such as ethanol and ether.
Refractive Index 1.40233
Flash Point(°C) -12 °C~-13 °C
Boil Point(°C) 78.5°C
Melt Point(°C) -123.1°C
Molecular Weight 92.570 g/mol
XLogP3 2.600
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 2
Exact Mass 92.0393 Da
Monoisotopic Mass 92.0393 Da
Topological Polar Surface Area 0.000 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 13.100
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Citations of This Product

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