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Butyl iodide

Butyl iodide structure

CAS No:
542-69-8
Formula:
C4H9I
Chemical Name:
Butyl iodide
Synonyms:
Butane,1-iodo-;1-Iodobutane;Butyl iodide;n-Butyl iodide;NSC 8420;1-Iodo-n-butane;4-Iodobutane
Categories:
Chemical Reagents > Organic Reagents

Description

liquid

Butyl iodide (1-iodobutane) is an organic compound which is an iodo derivative of butane. It is used as an alkylating agent.

Butyl iodide Basic Attributes

Molecular Weight：

184.02

Exact Mass：

184.02

BRN：

1420755

EC Number：

208-824-4

UNII：

607A6CC46R

NSC Number：

8420

HScode：

29033080

Characteristics

PSA：

XLogP3：

3.09

Appearance：

Clear colorless to pale yellow or light pink Liquid

Density：

1.6171 g/cm³ @ Temp: 20 °C

Melting Point：

-103 °C

Boiling Point：

130.6 °C

Flash Point：

92 °F

Refractive Index：

1.504

Water Solubility：

Insoluble in water.alcohol: soluble

Storage Conditions：

Flammables area

Vapor Pressure：

18.5 hPa (25 °C)

Vapor Density：

~5 (vs air)

Toxicity：

Abdominal cavity-rat LD50: 692 mg/kg; abdominal cavity-mouse LD50: 101 mg/kg

Flammability characteristics：

Inflammable in case of open flame, high temperature, oxidant; burning produces toxic iodide smoke

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

10-20-36/37/38-20/22

safety instructions：

16-36-36/37/39-26

RTECS Number：

EK4400000

Marks：

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from oxidant

Hazard note：

Harmful

Stability/Shelf Life：

Stable. Highly flammable. Incompatible with strong oxidizing agents. Light sensitive.

Precautionary statement(s)：

P261-P311

Hazard Statements：

H226-H331

RIDADR：

UN 1993

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P311, P321, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 51 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LC50 - Lethal concentration, 50 percent kill	Inhalation	Rodent - rat	6100 mg/m3/4H	Details of toxic effects not reported other than lethal dose value--	Toxicology of Drugs and Chemicals, Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,756,1969
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intraperitoneal	Rodent - rat	692 mg/kg	Details of toxic effects not reported other than lethal dose value--	Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure, Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,30,1982
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intraperitoneal	Rodent - mouse	101 mg/kg	Details of toxic effects not reported other than lethal dose value--	Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure, Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,30,1982

Drug Information

Metabolism/Metabolites：

1-iodobutane has known human metabolites that include butyl-glutathione.

MeSH Entry Terms：

1-iodobutane

Butyl iodide Use and Manufacturing

Methods of Manufacturing

From the reaction of n-butanol and iodine in the presence of phosphorus. Mix red phosphorus with n-butanol, heat it to reflux slightly, and slowly add iodine. After the addition, continue to reflux for 4 hours and distill to obtain a crude product. Wash with water, concentrated hydrochloric acid, water, 10% sodium carbonate solution and a small amount of sodium thiosulfate and water. Then it is dried with anhydrous calcium chloride and distilled to collect the 129-131°C fraction, which is 1-iodobutane. The yield is 90%.

Uses

Solvent. Organic Synthesis.

Manufacturing Info：

Butane, 1-iodo-: ACTIVE

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Kovats' RI, non-polar column, isothermal	Packed	SE-30	810.	120.	isothermal	He, Gas Chrom Q (100-120 mesh); Column length: 0.25 m	Kowalski, W.J.Free radical crosslinking of the gas chromatographic stationary phase containing europium chelatesChromatographia1992, 34, 5-8, 266-268.
Kovats' RI, non-polar column, isothermal	Packed	OV-101	844.9	150.	isothermal	N2, Chromosorb G HP; Column length: 2. m	Maeck, M.Touabet, A.Badjah Hadj Ahmed, A.Y.Meklati, B.Y.A numerical interpolation of Kováts indices without dead time correctionChromatographia1989, 27, 5/6, 205-208.
Kovats' RI, non-polar column, isothermal	Packed	OV-101	821.	120.	isothermal	N2, Chromosorb W AW DMCS (80-100 mesh); Column length: 2. m	Fernández-Sánchez, E.Fernández-Torres, A.García-Domínguez, J.A.García-Muñoz, J.Menéndez, V.Molera, M.J.Santiuste, J.M.Pertierra-Rimada, E.Mixed stationary phases in gas-liquid chromatography. Partition coefficients and retention indices in OV-101-OV-25, OV-101-Carbowax 20M and OV-225-SP-2340 mixturesJ. Chromatogr.1987, 410, 13-29.
Kovats' RI, non-polar column, isothermal	Packed	Squalane	806.	80.	isothermal	N2; Column length: 3.5 m	Kersten, B.R.Poole, C.F.Influence of concurrent retention mechanisms on the determination of stationary phase selectivity in gas chromatographyJ. Chromatogr.1987, 399, 1-31.
Kovats' RI, non-polar column, isothermal	Packed	SE-30	814.	100.	isothermal	Gaschrom Q; Column length: 2. m	Winskowski, J.Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen DetektorenChromatographia1983, 17, 3, 160-165.

Computed Properties

Molecular Weight:184.02
XLogP3:3.1
Rotatable Bond Count:2
Exact Mass:183.97490
Monoisotopic Mass:183.97490
Heavy Atom Count:5
Complexity:13.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

65039-16-9

65039-17-0

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1-Iodobutane 99% high quality see COA KANBEI

CAS No.: 542-69-8

Grade: Industrial Grade

Content: 99%

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