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4-Bromopyrazole
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Name

4-Bromopyrazole

 EINECS N/A
CAS No. 2075-45-8 Density 1.905 g/cm3
PSA 28.68000 LogP 1.17220
Solubility Slightly soluble in water. Melting Point 93-96 °C(lit.)
Formula C3H3BrN2 Boiling Point 254.999 °C at 760 mmHg
Molecular Weight 146.974 Flash Point 108.038 °C
Transport Information N/A Appearance White to cream crystalline powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2075-45-8 (4-Bromopyrazole) Hazard Symbols IrritantXi
Synonyms

Pyrazole,4-bromo- (6CI,7CI,8CI);4-Bromo-1H-pyrazole;NSC 522023;

Article Data 35

4-Bromopyrazole Synthetic route

288-13-1

NH-pyrazole

2075-45-8

4-bromo-1H-pyrazole

Conditions
ConditionsYield
With bromine In dichloromethane at 0℃;100%
With N-Bromosuccinimide In water at 20 - 25℃;100%
With N-Bromosuccinimide In water at 20℃;100%
3112-31-0

3,5-pyrazoledicarboxylic acid

2075-45-8

4-bromo-1H-pyrazole

Conditions
ConditionsYield
With bromine

potassium 4-bromopyrazolate

50901-46-7

Methyl 4-pyridazinyl ketone

A

2075-45-8

4-bromo-1H-pyrazole

B

C6H5N2O(1-)*K(1+)

Conditions
ConditionsYield
In dimethyl sulfoxide at 24.9℃; Equilibrium constant;
13745-17-0

4-bromo-1H-pyrazole-3-carboxylic acid

2075-45-8

4-bromo-1H-pyrazole

C10H5BrF2N2O

2075-45-8

4-bromo-1H-pyrazole

Conditions
ConditionsYield
With phosphate buffer at 25℃; Kinetics;

C11H9BrN2O

2075-45-8

4-bromo-1H-pyrazole

Conditions
ConditionsYield
With phosphate buffer at 25℃; Kinetics;

C11H9BrN2O

2075-45-8

4-bromo-1H-pyrazole

Conditions
ConditionsYield
With phosphate buffer at 25℃; Kinetics;

C10H4BrClF2N2O

2075-45-8

4-bromo-1H-pyrazole

Conditions
ConditionsYield
With phosphate buffer at 25℃; Kinetics;

(4-bromo-1H-pyrazol-1-yl)(p-tolyl)methanone

2075-45-8

4-bromo-1H-pyrazole

Conditions
ConditionsYield
With phosphate buffer at 25℃; Kinetics;

(S)-flurbiprofenyl 4-bromopyrazolide

A

2075-45-8

4-bromo-1H-pyrazole

B

5104-49-4, 51543-38-5, 51543-39-6, 51543-40-9

(S)-(+)-flurbiprofen

Conditions
ConditionsYield
With water; sodium hydroxide at 4℃; for 24h;

4-Bromopyrazole Chemical Properties

IUPAC Name: 4-Bromo-1H-pyrazole
Synonyms of 1H-Pyrazole, 4-bromo- (CAS NO.2075-45-8): 4-Bromopyrazole ; 4-Brompyrazole ; 5-23-04-00172 (Beilstein Handbook Reference) ; BRN 0106510 ; NSC 522023 ; 1H-Pyrazole, 4-bromo- (9CI) ; Pyrazole, 4-bromo-
CAS NO: 2075-45-8
Classification Code: Drug / Therapeutic Agent ; Mutation data
Molecular Formula of 1H-Pyrazole, 4-bromo- (CAS NO.2075-45-8): C3H3BrN2
Molecular Weight: 146.9733
Molecular Structure:

Melting point: 93-96 °C 
H bond acceptors: 2
H bond donors: 1 
Polar Surface Area: 17.82 Å2
Index of Refraction: 1.601
Molar Refractivity: 26.46 cm3
Molar Volume: 77.1 cm3
Surface Tension: 56.4 dyne/cm
Density of 1H-Pyrazole, 4-bromo- (CAS NO.2075-45-8): 1.904 g/cm3
Flash Point: 108 °C
Enthalpy of Vaporization: 47.26 kJ/mol
Boiling Point: 255 °C at 760 mmHg
Vapour Pressure: 0.0268 mmHg at 25°C

4-Bromopyrazole Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 367mg/kg (367mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 178, Pg. 199, 1971.

4-Bromopyrazole Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39: Wear suitable gloves and eye/face protection.
WGK Germany: 3
RTECS: UQ6200000
Hazard Note: Irritant
HazardClass: IRRITANT

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