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Cas Database

Name	5-Bromovaleric acid	EINECS	218-185-3
CAS No.	2067-33-6	Density	1.522 g/cm³
PSA	37.30000	LogP	1.63620
Solubility	Soluble in ethanol. Insoluble in water.	Melting Point	38 -40 °C
Formula	C₅H₉BrO₂	Boiling Point	265.5 °C at 760 mmHg
Molecular Weight	181.029	Flash Point	114.4 °C
Transport Information	UN 3261	Appearance	yellowish to light brown crystals or cryst. powder
Safety	26-36	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	Valeric acid, 5-bromo- (6CI,7CI,8CI);1-Bromo-4-carboxybutane;5-Bromo-1-pentanoic acid;5-Bromopentanoic acid;Pentanoic acid, 5-bromo-;d-Bromovaleric acid;	Article Data	40

5-Bromovaleric acid Synthetic route

: 1191-30-6
5-bromopentanal

: 2067-33-6
5-bromopentanoic acid

Conditions

Conditions	Yield
With N-hydroxyphthalimide; oxygen In acetonitrile at 30℃; for 3h; Schlenk technique;	95%
With N-hydroxyphthalimide; oxygen In acetonitrile at 30℃; under 760.051 Torr; for 3h; Catalytic behavior; Solvent; Schlenk technique;	95%

: potassium 5-hydroxypentanoate

: 2067-33-6
5-bromopentanoic acid

Conditions

Conditions	Yield
With sulfuric acid; sodium bromide In water at 90 - 95℃; for 8h; Temperature; Concentration;	88.9%

: 542-28-9
3,4,5,6-tetrahydro-2H-pyran-2-one

: 2067-33-6
5-bromopentanoic acid

Conditions

Conditions	Yield
With tetrabutylammomium bromide; hydrogen bromide In water for 0.166667h; Microwave irradiation;	85%
With sulfuric acid; water; hydrogen bromide
With hydrogen bromide

: 123-91-1
1,4-dioxane

: 542-28-9
3,4,5,6-tetrahydro-2H-pyran-2-one

A: 2067-33-6
5-bromopentanoic acid

B: 91034-94-5
β-(β'-bromoethoxy)ethyl 4-bromovalerate

Conditions

Conditions	Yield
With hydrogen bromide In water 1) room temp. 1h; 2) 80 degC, 1,5h; 3) room temp. 12h;	A 64.12% B 20.24%

: 542-28-9
3,4,5,6-tetrahydro-2H-pyran-2-one

A: 2067-33-6
5-bromopentanoic acid

B: 91034-94-5
β-(β'-bromoethoxy)ethyl 4-bromovalerate

Conditions

Conditions	Yield
With hydrogen bromide In 1,4-dioxane; water 1) room temp. 1 h; 2) 80 deg C, 1,5 h; 3) room temp. 12 h;	A 64.12% B 20.24%

: 5414-21-1
5-bromopentan-1-nitrile

: 2067-33-6
5-bromopentanoic acid

Conditions

Conditions	Yield
With hydrogen bromide for 17h; Heating;	38%
With hydrogen bromide
With hydrogen bromide
Multi-step reaction with 2 steps 1: potassium hydroxide 2: water; hydrobromic acid View Scheme
Multi-step reaction with 2 steps 2: water; hydrobromic acid View Scheme

: 591-80-0
pent-4-enoic acid

: 2067-33-6
5-bromopentanoic acid

Conditions

Conditions	Yield
With hydrogen bromide; dibenzoyl peroxide
With ascaridole; hexane; hydrogen bromide

: 13392-69-3
valeric acid

: 2067-33-6
5-bromopentanoic acid

Conditions

Conditions	Yield
With sulfuric acid; hydrogen bromide
With sulfuric acid; hydrogen bromide Cooling with ice; Heating;

: 2427-16-9
5-hydroxy-pentanenitrile

: 2067-33-6
5-bromopentanoic acid

Conditions

Conditions	Yield
With water; hydrogen bromide

: 6067-01-2
5-ethoxy-valeronitrile

: 2067-33-6
5-bromopentanoic acid

Conditions

Conditions	Yield
With water; hydrogen bromide

5-Bromovaleric acid Chemical Properties

IUPAC Name: 5-Bromopentanoic acid
Molecular Formula: C₅H₉BrO₂
Molecular Weight: 181.03 g/mol
SMILES: C(CCCBr)C(O)=O
InChI: InChI=1/C5H9BrO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)
EINECS: 218-185-3
Product Categories: Organic acids;Acids & Esters; Bromine Compounds; omega-Bromocarboxylic Acids; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; C1 to C5; Carbonyl Compounds; Carboxylic Acids
Index of Refraction: 1.492
Molar Refractivity: 34.5 cm³
Molar Volume: 118.8 cm³
Polarizability: 13.68×10^-24 cm³
Surface Tension: 43.3 dyne/cm
Density: 1.522 g/cm³
Flash Point: 114.4 °C
Enthalpy of Vaporization: 55.42 kJ/mol
Boiling Point: 265.5 °C at 760 mmHg
Melting Point: 38-40 °C(lit.)
Vapour Pressure of 5-Bromovaleric acid (CAS NO.2067-33-6): 0.00264 mmHg at 25 °C

5-Bromovaleric acid Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: UN3261
WGK Germany: 3
HazardClass: 8
PackingGroup of 5-Bromovaleric acid (CAS NO.2067-33-6): III

5-Bromovaleric acid Specification

5-Bromovaleric acid (CAS NO.2067-33-6), its Synonyms are 5-Bromopentanoic acid ; Valeric acid, 5-bromo- ; delta-Bromovaleric acid ; Pentanoic acid, 5-bromo- . It is yellowish to light brown crystals or cryst. powder.

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