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1,4-Dibromobutane

1,4-Dibromobutane structure

CAS No:
110-52-1
Formula:
C4H8Br2
Chemical Name:
1,4-Dibromobutane
Synonyms:
Butane,1,4-dibromo-;1,4-Dibromobutane;Tetramethylene dibromide;Tetramethylenebromide;α,ω-Dibromobutane;NSC 71435;1,4-Butylene dibromide;625084-39-1
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

Clear, colorless liquid

1,4-Dibromobutane is used as a catalyst in the polymerization of 2-oxazolines. Also used in the synthesis of cholinesterase inhibitors used against Alzheimer’s disease.

1,4-Dibromobutane Basic Attributes

Molecular Weight：

215.91400

Exact Mass：

215.91

EC Number：

203-775-5

UNII：

G49PHR6JFU

NSC Number：

71435

DSSTox ID：

DTXSID5044364

HScode：

2903399090

Characteristics

PSA：

XLogP3：

2.5

Appearance：

Colorless liquid.

Density：

1.75 g/cm³ @ Temp: 15 °C

Melting Point：

-16.5 °C

Boiling Point：

197 °C

Flash Point：

65.2ºC

Refractive Index：

1.5176-1.5196

Water Solubility：

immiscible

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

0.544mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 2810

wgk germany：

hazard class code：

R25; R36/37/38; R41

safety instructions：

S26-S37/39-S45

RTECS Number：

EJ7565000

Marks：

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.

Precautionary statement(s)：

P261-P273-P280-P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H315-H318-H335-H412

RIDADR：

UN 2810

GHS Classification：

|Danger|H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 68 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Not Classified

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intraperitoneal	Rodent - mouse	300 mg/kg	Details of toxic effects not reported other than lethal dose value--	Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 14,668,1964
ACUTE TOXICITY DATA	Mutation in microorganisms			10 umol/plate	--	Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 141,11,1984

Drug Information

MeSH Entry Terms：

1,4-dibromobutane

1,4-Dibromobutane Use and Manufacturing

Uses

1,4-Dibromo butane was used to investigate the metabolism of two halopropanes: 1,3-dichloropropane and 2,2-dichloropropane. It was used as reagent during the synthesis of diazadioxa oxovanadium(IV) macrocyclic complexes.

Manufacturing Info：

Butane, 1,4-dibromo-: ACTIVE

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Kovats' RI, non-polar column, isothermal	Capillary	SE-54	1094.	120.	isothermal	15. m/0.28 mm/2.4 μm, Ar	Grigor'eva, D.N.Vasil'ev, A.V.Golovnya, R.V.Effect of the temperature on the retention indices in homologous series of bifunctional compounds under capillary gas chromatography conditionsJ. Anal. Chem. USSR (Engl. Transl.)1993, 48, 7, 817-822.
Kovats' RI, non-polar column, isothermal	Capillary	SE-54	1114.	160.	isothermal	15. m/0.28 mm/2.4 μm, Ar	Grigor'eva, D.N.Vasil'ev, A.V.Golovnya, R.V.Effect of the temperature on the retention indices in homologous series of bifunctional compounds under capillary gas chromatography conditionsJ. Anal. Chem. USSR (Engl. Transl.)1993, 48, 7, 817-822.
Kovats' RI, non-polar column, isothermal	Packed	SE-30	1057.	175.	isothermal	Column length: 3. m	Casteignau, G.Villessot, D.Identification par chromatographie en phase gaseuse de composés difonctionnels insaturés. I. Synthèse et indices de rétentionBull. Soc. Chim. Fr.1968, 9, 3893-3903.
Kovats' RI, non-polar column, isothermal	Capillary	PEG-40M	1559.	120.	isothermal	40. m/0.25 mm/0.10 μm, Ar	Grigor'eva, D.N.Vasil'ev, A.V.Golovnya, R.V.Effect of the temperature on the retention indices in homologous series of bifunctional compounds under capillary gas chromatography conditionsJ. Anal. Chem. USSR (Engl. Transl.)1993, 48, 7, 817-822.
Kovats' RI, non-polar column, isothermal	Capillary	PEG-40M	1584.	120.	isothermal	40. m/0.25 mm/0.10 μm, Ar	Grigor'eva, D.N.Vasil'ev, A.V.Golovnya, R.V.Effect of the temperature on the retention indices in homologous series of bifunctional compounds under capillary gas chromatography conditionsJ. Anal. Chem. USSR (Engl. Transl.)1993, 48, 7, 817-822.

Computed Properties

Molecular Weight:215.91
XLogP3:2.5
Rotatable Bond Count:3
Exact Mass:215.89723
Monoisotopic Mass:213.89928
Heavy Atom Count:6
Complexity:17.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

15018-33-4

Material

Tetrahydrofuran

1,4-Butanediol

Phosphorus trichloride

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