MedKoo Cat#: 535702 | Name: Butyl chloride

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Butyl chloride is a bioactive chemical.

Chemical Structure

Butyl chloride
Butyl chloride
CAS#109-69-3

Theoretical Analysis

MedKoo Cat#: 535702

Name: Butyl chloride

CAS#: 109-69-3

Chemical Formula: C4H9Cl

Exact Mass: 92.0393

Molecular Weight: 92.57

Elemental Analysis: C, 51.90; H, 9.80; Cl, 38.30

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
Synonym
Butyl chloride
IUPAC/Chemical Name
1-Chlorobutane
InChi Key
VFWCMGCRMGJXDK-UHFFFAOYSA-N
InChi Code
InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3
SMILES Code
CCCCCl
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 92.57 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Gajewski JJ. Is the tert-butyl chloride solvolysis the most misunderstood reaction in organic chemistry? Evidence against nucleophilic solvent participation in the tert-butyl chloride transition state and for increased hydrogen bond donation to the 1-adamantyl chloride solvolysis transition state. J Am Chem Soc. 2001 Nov 7;123(44):10877-83. doi: 10.1021/ja010600d. PMID: 11686689. 2: Petryk MW, Henry BR. CH stretching vibrational overtone spectra of tert- butylbenzene, tert-butyl chloride, and tert-butyl iodide. J Phys Chem A. 2005 May 12;109(18):4081-91. doi: 10.1021/jp040710h. PMID: 16833730. 3: Vishalakshi GJ, NaveenKumar SK, Hemshekhar M, Mahendra M, Kemparaju K, Girish KS. Para-tertiary butyl catechol (PTBC), an industrial antioxidant induces human platelet apoptosis. Environ Toxicol. 2019 Mar;34(3):262-270. doi: 10.1002/tox.22681. Epub 2018 Nov 21. PMID: 30461186. 4: Dharaskar SA, Varma MN, Shende DZ, Yoo CK, Wasewar KL. Synthesis, characterization and application of 1-butyl-3 methylimidazolium chloride as green material for extractive desulfurization of liquid fuel. ScientificWorldJournal. 2013 Nov 6;2013:395274. doi: 10.1155/2013/395274. PMID: 24307868; PMCID: PMC3836428. 5: Rabideau BD, Ismail AE. The effects of chloride binding on the behavior of cellulose-derived solutes in the ionic liquid 1-butyl-3-methylimidazolium chloride. J Phys Chem B. 2012 Aug 16;116(32):9732-43. doi: 10.1021/jp305469p. Epub 2012 Aug 2. PMID: 22809460. 6: National Toxicology Program. NTP Toxicology and Carcinogenesis Studies of n-Butyl Chloride (CAS No. 109-69-3) in F344/N Rats and B6C3F1 Mice (Gavage Studies). Natl Toxicol Program Tech Rep Ser. 1986 Apr;312:1-198. PMID: 12748717. 7: Skillman B, Kerrigan S. Quantification of suvorexant in blood using liquid chromatography-quadrupole/time of flight (LC-Q/TOF) mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2018 Aug 1;1091:87-95. doi: 10.1016/j.jchromb.2018.05.006. Epub 2018 May 25. PMID: 29859493. 8: Maroz A, Hermann R, Naumov S, Brede O. Ionization of aniline and its N-methyl and N-phenyl substituted derivatives by (free) electron transfer to n-butyl chloride parent radical cations. J Phys Chem A. 2005 Jun 2;109(21):4690-6. doi: 10.1021/jp0503056. PMID: 16833809. 9: Wang J , Tang X , Li Y , Zhang R , Zhu L , Chen J , Sun Y , Zhang Q , Wang W . Computational evidence for the degradation mechanism of haloalkane dehalogenase LinB and mutants of Leu248 to 1-chlorobutane. Phys Chem Chem Phys. 2018 Aug 8;20(31):20540-20547. doi: 10.1039/c8cp03561j. PMID: 30051124. 10: Adamowicz P, Hydzik P. Fetal death associated with the use of 3,4-MDPHP and α-PHP. Clin Toxicol (Phila). 2019 Feb;57(2):112-116. doi: 10.1080/15563650.2018.1502443. Epub 2018 Aug 17. PMID: 30117325.