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3398-16-1

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Basic Information
CAS No.: 3398-16-1
Name: 4-Bromo-3,5-dimethylpyrazole
Article Data: 35
Cas Database
Molecular Structure:
Molecular Structure of 3398-16-1 (4-Bromo-3,5-dimethylpyrazole)
Formula: C5H7 Br N2
Molecular Weight: 175.028
Synonyms: Pyrazole,4-bromo-3,5-dimethyl- (6CI,7CI,8CI); 3,5-Dimethyl-4-bromopyrazole;4-Bromo-3,5-dimethyl-1H-pyrazole; 4-Bromo-3,5-dimethylpyrazole; GF 12; NSC50564
EINECS: 222-263-2
Density: 1.595 g/cm3
Melting Point: 119-121 ºC
Boiling Point: 269.1 °C at 760 mmHg
Flash Point: 116.5 °C
Solubility: Solubility in water
Appearance: pale white or light yellow crystal powder
Hazard Symbols:
Risk Codes: R36/37/38   
Safety: S26;S37/39
PSA: 28.68000
LogP: 1.78900
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Chemistry

IUPAC Name: 4-Bromo-3,5-dimethyl-1H-pyrazole
Systematic of 1H-Pyrazole,4-bromo-3,5-dimethyl- (CAS NO.3398-16-1): 4-Bromo-3,5-dimethylpyrazole ; 5-23-05-00154 (Beilstein Handbook Reference) ; BRN 0108534 ; EINECS 222-263-2 ; GF 12 ; NSC 50564 ; 4-Bromo-3,5-dimethyl-1H-pyrazole ; Pyrazole, 4-bromo-3,5-dimethyl-
CAS NO: 3398-16-1
Classification Code: Drug / Therapeutic Agent
Molecular Formula of 1H-Pyrazole,4-bromo-3,5-dimethyl- (CAS NO.3398-16-1): C5H7BrN2
Molecular Weight: 175.0265
Molecular Structure:

Melting Point: 123-125 °C 
H bond acceptors: 2
H bond donors: 1 
Polar Surface Area: 17.82 Å2
Index of Refraction: 1.572
Molar Refractivity: 36.11 cm3
Molar Volume: 109.7 cm3
Surface Tension: 46.7 dyne/cm
Density of 1H-Pyrazole,4-bromo-3,5-dimethyl- (CAS NO.3398-16-1): 1.595 g/cm3
Flash Point: 116.5 °C
Enthalpy of Vaporization: 48.68 kJ/mol
Boiling Point: 269.1 °C at 760 mmHg
Vapour Pressure: 0.0122 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 580mg/kg (580mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Farmakologiya i Toksikologiya Vol. 28, Pg. 670, 1965.

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: UQ6210000
HazardClass: IRRITANT