4-Bromobutyric acid supplier

Name
4-Bromobutyric acid
EINECS 220-083-9
CAS No. 2623-87-2
Article Data39
CAS DataBase
Density 1.631 g/cm³
Solubility slightly soluble in water
Melting Point 31 - 33 °C
Formula C₄H₇BrO₂
Boiling Point 248.7 °C at 760 mmHg
Molecular Weight 167.002
Flash Point 111.3 °C
Transport Information UN 3261 8/PG 3
Appearance slightly yellow solid
Safety 26-36/37/39-45-28A
Risk Codes 34
Molecular Structure
Hazard Symbols C
Synonyms Butyric acid, 4-bromo-;4-bromobutanoate;Butanoic acid, 4-bromo-;NSC 99322;
PSA 37.30000
LogP 1.24610

Synthetic route

: 1119-51-3
bromopentene

: 2623-87-2
bromobutyric acid

Conditions

Conditions	Yield
With jones reagent; osmium(VIII) oxide In water; acetone for 20h; Ambient temperature;	89%

: 96-48-0
4-butanolide

: 2623-87-2
bromobutyric acid

Conditions

Conditions	Yield
With tetrabutylammomium bromide; hydrogen bromide In water for 0.166667h; Microwave irradiation;	87%
With trimethylsilyl bromide; iodine(I) bromide for 12h; Ambient temperature;	73%
With sulfuric acid; hydrogen bromide In water for 12h; Inert atmosphere; Reflux;	65%

: 1759-53-1
cyclopropanecarboxylic acid

: 2623-87-2
bromobutyric acid

Conditions

Conditions	Yield
With water; boron tribromide In dichloromethane at 23℃; for 46h; regioselective reaction;	67%
With hydrogen bromide at 175℃;

: 6303-58-8
4-phenyloxybutanoic acid

: 2623-87-2
bromobutyric acid

Conditions

Conditions	Yield
With hydrogen bromide at 120℃;

: 625-38-7
but-3-enoic acid

: 2623-87-2
bromobutyric acid

Conditions

Conditions	Yield
With hydrogen bromide; toluene
With hydrogen bromide; Petroleum ether
With hexane; hydrogen bromide; dibenzoyl peroxide

: 10374-37-5
4-ethoxybutanoic acid

: 2623-87-2
bromobutyric acid

Conditions

Conditions	Yield
With hydrogen bromide; acetic acid

: 28341-54-0
4-(4-nitrophenoxy)butanoic acid

: 2623-87-2
bromobutyric acid

Conditions

Conditions	Yield
With hydrogen bromide at 100℃;

: 5332-06-9
4-bromobutanenitrile

: 2623-87-2
bromobutyric acid

Conditions

Conditions	Yield
With hydrogen bromide Heating;
With hydrogen bromide Hydrolysis;

: 96-48-0
4-butanolide

: 10035-10-6, 12258-64-9
hydrogen bromide

: 2623-87-2
bromobutyric acid

Conditions

Conditions	Yield
at 100℃; im Druckrohr;

: 10035-10-6, 12258-64-9
hydrogen bromide

: 1759-53-1
cyclopropanecarboxylic acid

: 2623-87-2
bromobutyric acid

Conditions

Conditions	Yield
at 175℃;

: 6303-58-8
4-phenyloxybutanoic acid

: 10035-10-6, 12258-64-9
hydrogen bromide

: 2623-87-2
bromobutyric acid

Conditions

Conditions	Yield
at 120℃;

: 625-38-7
but-3-enoic acid

: 10035-10-6, 12258-64-9
hydrogen bromide

: 108-88-3
toluene

: 2623-87-2
bromobutyric acid

...Expand

: 625-38-7
but-3-enoic acid

: 10035-10-6, 12258-64-9
hydrogen bromide

petroleum ether: petroleum ether

: 2623-87-2
bromobutyric acid

...Expand

: 75-36-5
acetyl chloride

: 540-51-2
2-bromoethanol

: 2623-87-2
bromobutyric acid

Conditions

Conditions	Yield
With triethylamine In dichloromethane	0.241 g (72%)

: 67-56-1
methanol

: 2623-87-2
bromobutyric acid

: 4897-84-1
Methyl 4-bromobutyrate

Conditions

Conditions	Yield
With acetyl chloride at 0 - 20℃; for 18h; Inert atmosphere;	100%
With thionyl chloride at 0 - 20℃;	89%
With thionyl chloride at 0 - 20℃; Inert atmosphere;	85%

: 2623-87-2
bromobutyric acid

: 927-58-2
4-bromobutyroyl chloride

Conditions

Conditions	Yield
With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 0 - 20℃; for 4h;	100%
With thionyl chloride at 70℃; for 3h; Heating;	79%
With thionyl chloride

: 2623-87-2
bromobutyric acid

: 7425-27-6
4-iodobutanoic acid

Conditions

Conditions	Yield
With potassium iodide In acetone for 6h; Heating;	100%
With sodium iodide In acetone for 16h;	85%
With sodium iodide In acetone for 5h; Ambient temperature;

: 5418-86-0
tris(methylthio)methane

: 2623-87-2
bromobutyric acid

: 5,5,5-tris(methylsulfanyl)pentanoic acid

Conditions

Conditions	Yield
With n-butyllithium at 20℃; for 3h; Substitution;	100%

: 13368-42-8
4-(trimethylsilyl)morpholine

: 2623-87-2
bromobutyric acid

A: 1825-61-2
Methoxytrimethylsilane

B: 6377-82-8
morpholinium hydrobromide

C: trimethylsilyl 4-morpholinobutyrate

Conditions

Conditions	Yield
With methanol at 20℃; for 24h;	A n/a B 99.1% C 71%

...Expand

: 2623-87-2
bromobutyric acid

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: 100446-67-1
4-trimethylsiloxybutyramide

Conditions

Conditions	Yield
With methanol In dimethyl sulfoxide at 20℃;	99%

: 2623-87-2
bromobutyric acid

: 33036-62-3
4-Bromo-1-butanol

Conditions

Conditions	Yield
Stage #1: bromobutyric acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 0.5h; Stage #2: With sodium tetrahydroborate; water In tetrahydrofuran at 0℃; for 0.5h;	99%
Stage #1: bromobutyric acid With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In ethyl acetate at 0℃; for 0.166667h; Stage #2: With sodium tetrahydroborate In water; ethyl acetate at 0℃; for 0.366667h;	92%
With dimethylsulfide borane complex	86%

: 2623-87-2
bromobutyric acid

: 38841-98-4
n-octylmagnesium chloride

: 143-07-7
lauric acid

Conditions

Conditions	Yield
Stage #1: bromobutyric acid With 1-methyl-pyrrolidin-2-one; tert-butylmagnesium chloride In tetrahydrofuran at -78℃; for 0.166667h; Inert atmosphere; Stage #2: n-octylmagnesium chloride With buta-1,3-diene; nickel dichloride In tetrahydrofuran under 760.051 Torr; for 1h; Inert atmosphere; Cooling with ice;	99%

: 2623-87-2
bromobutyric acid

: 100-51-6
benzyl alcohol

: 126430-46-4
benzyl 4-bromobutanoate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In cyclohexane Reflux;	98%
With sulfuric acid; magnesium sulfate In dichloromethane at 20℃; for 48h;	95%
With toluene-4-sulfonic acid In cyclohexane at 85℃; for 16h; Inert atmosphere;	83%

: 2623-87-2
bromobutyric acid

: C66H94CoN16O15P

: C69H101CoN15O17P

Conditions

Conditions	Yield
Stage #1: C66H94CoN16O15P With methanol; ammonium bromide for 0.333333h; Inert atmosphere; Stage #2: With zinc for 0.333333h; Inert atmosphere; Stage #3: bromobutyric acid for 0.5h; Inert atmosphere;	98%

: 21715-90-2
endo-N-hydroxy-5-norbornene-2,3-dicarboxyimide

: 2623-87-2
bromobutyric acid

: N-hydroxy-5-norbornene-2,3-dicarboximide bromobutanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide	97%
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 16h;

: 2623-87-2
bromobutyric acid

: 86520-52-7
2-[2-(2-azidoethoxy)ethoxy]ethanol

: 2-[2-(2-azidoethoxy)ethoxy]ethyl 4-bromobutanoate

Conditions

Conditions	Yield
Stage #1: bromobutyric acid; 2-[2-(2-azidoethoxy)ethoxy]ethanol With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 12h; Stage #2: With triethylamine In dichloromethane for 1h;	97%

: 96-48-0
4-butanolide

: 2623-87-2
bromobutyric acid

: 18406-59-2
N-benzyl-N,N-bis(trimethylsilyl)amine

A: 19340-88-6
N-benzyl-4-hydroxybutanamide

B: 100446-71-7
N-benzyl-4-(trimethylsiloxy)butanamide

Conditions

Conditions	Yield
With methanol for 1h;	A 6.7 g B 96%

...Expand

: 2623-87-2
bromobutyric acid

: 13095-73-3
4-mercaptobutyric acid

Conditions

Conditions	Yield
With thiourea; sodium hydroxide In ethanol; water for 5h; Reflux;	96%
Stage #1: bromobutyric acid With thiourea In ethanol for 3h; Reflux; Stage #2: With sodium hydroxide	87%
Stage #1: bromobutyric acid With thiourea In ethanol for 3h; Reflux; Stage #2: With sodium hydroxide In ethanol; water for 2h; Reflux;	87%

: 2623-87-2
bromobutyric acid

: 75-65-0
tert-butyl alcohol

: 110661-91-1
tert-butyl 4-bromobutyrate

Conditions

Conditions	Yield
Stage #1: bromobutyric acid With trifluoroacetic anhydride In tetrahydrofuran at -40℃; for 0.5h; Stage #2: tert-butyl alcohol In tetrahydrofuran at 20℃;	95%
With trifluoroacetic anhydride In tetrahydrofuran at -40 - 20℃;	90%
With sulfuric acid; magnesium sulfate In dichloromethane at 20℃; for 72h;	79%

: 143-10-2
decylthiol

: 2623-87-2
bromobutyric acid

: 287194-91-6
6-(decylthio)hexanoic Acid

Conditions

Conditions	Yield
With potassium hydroxide In ethanol for 3h; Heating / reflux;	95%
Stage #1: decylthiol; bromobutyric acid Neat (no solvent); Stage #2: With potassium hydroxide In ethanol Stage #3: With water Acidic aqueous solution;	95%

: 2623-87-2
bromobutyric acid

: 122-97-4
3-Phenyl-1-propanol

: 156390-14-6
(3-Phenylpropyl)4-bromobutanoate

Conditions

Conditions	Yield
	95%

: 2623-87-2
bromobutyric acid

: 473-98-3
betulin

: 3β-hydroxylup-20(29)-en-28-yl 4-bromobutanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; Steglich Esterification;	95%
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 24h;	80%

: 2623-87-2
bromobutyric acid

: 100-83-4
meta-hydroxybenzaldehyde

: 3-formylphenyl 4-bromobutanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 12h; Inert atmosphere;	93%

: 2623-87-2
bromobutyric acid

: 502-52-3
hexadecanoic acid, 2-hydroxy-1,3-propanediyl ester

: 185672-31-5
2-((4-bromobutanoyl)oxy)propane-1,3-diyl dipalmitate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 19h;	93%

: 552-41-0
1-(2-hydroxy-4-methoxyphenyl)ethanone

: 2623-87-2
bromobutyric acid

: C13H15BrO4

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 24h; Inert atmosphere;	93%

: 2623-87-2
bromobutyric acid

: 603-35-0
triphenylphosphine

: 17857-14-6
(3-carboxypropyl)(triphenyl)phosphonium bromide

Conditions

Conditions	Yield
In toluene for 48h; Inert atmosphere; Reflux;	92%
at 80℃; for 24h; Inert atmosphere;	90%
at 120℃; for 16h; Inert atmosphere;	89%

: 2623-87-2
bromobutyric acid

: 38033-39-5
N-(3-trimethylsiloxypropyl)trimethyl(amino)silane

: N-(3-trimethylsiloxypropyl)-4-trimethylsiloxybutyramide

Conditions

Conditions	Yield
With methanol In various solvent(s)	92%

: 2623-87-2
bromobutyric acid

: 85310-49-2
1-(2-Nitrobenzenesulfonyloxy)-6-nitrobenzotriazole

: 121335-12-4
4-Bromo-butyric acid 6-nitro-benzotriazol-1-yl ester

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 2h; Ambient temperature;	92%

: 41532-84-7
2,3,3-trimethylbenzo[e]indole

: 2623-87-2
bromobutyric acid

: C19H23NO2

Conditions

Conditions	Yield
In toluene Inert atmosphere; Reflux;	92%

: 2623-87-2
bromobutyric acid

: 352-91-0
1-Bromo-3-fluoropropane

Conditions

Conditions	Yield
With xenon difluoride In dichloromethane at 22℃; for 10h;	91%
With xenon difluoride; [18F]fluoride ion, cyclotron produced, NCA for 0.5h; Mechanism; Ambient temperature;

: 2623-87-2
bromobutyric acid

: 3695-77-0
triphenylmethanethiol

: 377733-71-6
4-[(triphenylmethyl)thio]butanoic acid

Conditions

Conditions	Yield
Stage #1: triphenylmethanethiol With sodium hydride In N,N-dimethyl-formamide at 0℃; Inert atmosphere; Stage #2: bromobutyric acid In N,N-dimethyl-formamide at 0 - 20℃; Inert atmosphere;	91%
Stage #1: triphenylmethanethiol With sodium methylate In methanol; toluene Stage #2: bromobutyric acid In methanol; toluene at 5 - 20℃;	76%
With sodium methylate In methanol; water; toluene at 0 - 40℃; for 30h;	50%
With sodium methylate
With sodium methylate

: 2623-87-2
bromobutyric acid

: 7689-03-4
camptothecin

: 935761-80-1
camptothecin 20-(4-bromo)-n-butyrate

Conditions

Conditions	Yield
Stage #1: bromobutyric acid; camptothecin With sodium hydroxide; sulfuric acid; phosphorus pentoxide Heating / reflux; Stage #2: With sodium hydroxide In water	91%

: 2623-87-2
bromobutyric acid

: 71-36-3
butan-1-ol

: 3540-75-8
butyl 4-bromobutanoate

Conditions

Conditions	Yield
With dmap; diisopropyl-carbodiimide In dichloromethane; N,N-dimethyl-formamide	91%

: 2623-87-2
bromobutyric acid

: 14199-15-6
Methyl 4-hydroxyphenylacetate

: methyl 2-(4'-(4"-bromobutanoyloxy)phenyl)acetate

Conditions

Conditions	Yield
With trichlorophosphate In benzene at 80℃; for 5.5h;	91%

4-Bromobutyric acid Chemical Properties

IUPAC Name: 4-Bromobutanoic acid
Following is the structure of 4-Bromobutyric acid (CAS NO.2623-87-2):

Molecular Formula:C₄H₇BrO₂
Molecular Weight:167.00
EINECS:220-083-9
Index of Refraction: 1.495
Molar Refractivity: 29.87 cm³
Molar Volume: 102.3 cm³
Density: 1.631 g/cm³
Flash Point: 111.3 °C
Melting Point: 31 - 33 °C
Sensitive: Light Sensitive
Solubility: Slightly soluble
Surface Tension: 45 dyne/cm
Enthalpy of Vaporization: 53.51 kJ/mol
Boiling Point: 248.7 °C at 760 mmHg
Vapour Pressure: 0.00763 mmHg at 25 °C
Appearance of 4-Bromobutyric acid (CAS NO.2623-87-2): Slightly yellow solid
Product Categories: Acids & Esters; Bromine Compounds; omega-Bromocarboxylic Acids;omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; Bifunctional CrosslinkersCarbonyl Compounds; C1 to C5; Carboxylic Acids; Linkers; Peptide Synthesis
Canonical SMILES: C(CC(=O)O)CBr
InChI: InChI=1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
InChIKey: GRHQDJDRGZFIPO-UHFFFAOYSA-N

4-Bromobutyric acid Uses

4-Bromobutyric acid(2623-87-2) can be used as pesticide and pharmaceutical intermediates.

4-Bromobutyric acid Toxicity Data With Reference

4-Bromobutyric acid (CAS NO.2623-87-2) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.

4-Bromobutyric acid Safety Profile

Hazard Codes: Corrosive C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-36/37/39-45-28
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S28:After contact with skin, wash immediately with plenty of soap-suds.
RIDADR: UN 3261 8/PG 3
WGK Germany; 3
F: 13
Hazard Note: Corrosive/Light Sensitive
HazardClass: 8
PackingGroup: III
HS Code: 29159080

4-Bromobutyric acid Specification

4-Bromobutyric acid , its cas register number 2623-87-2. It also can be called 4-Bromobutanoic acid ; and Butyric acid, 4-bromo- .
4-Bromobutyric acid (CAS NO.2623-87-2) should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: Carbon monoxide, carbon dioxide, hydrogen bromide. However, its hazardous polymerization has not been reported.

Product Name

4-Bromobutyric acid

Synthetic route

4-Bromobutyric acid Chemical Properties

4-Bromobutyric acid Uses

4-Bromobutyric acid Toxicity Data With Reference

4-Bromobutyric acid Safety Profile

4-Bromobutyric acid Specification

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