IUPAC/Chemical Name
1-Chlorobutane
InChi Key
VFWCMGCRMGJXDK-UHFFFAOYSA-N
InChi Code
InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3
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
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.
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.