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3,5-Dibromobenzoic acid

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Name

3,5-Dibromobenzoic acid

EINECS N/A
CAS No. 618-58-6 Density 2.083 g/cm3
PSA 37.30000 LogP 2.90980
Solubility N/A Melting Point 218-220 °C(lit.)
Formula C7H4Br2O2 Boiling Point 355.2 °C at 760 mmHg
Molecular Weight 279.916 Flash Point 168.6 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 618-58-6 (3,5-Dibromobenzoic acid) Hazard Symbols IrritantXi
Synonyms

3,5-dibromo-benzoic acid;BENZOIC ACID,3,5-DIBROMO;3,5-dibromobenzoate;3,5-Dibrom-benzoesaeure;

Article Data 17

3,5-Dibromobenzoic acid Chemical Properties

3,5-Dibromobenzoic acid (618-58-6) is also named as Benzoic acid, 3,5-dibromo- ; Rarechem AL BO 0773;3,5-Dibromobenzoic acid ; BUTTPARK 99\57-19 ; 411523_ALDRICH ; 33960_FLUKA ; BRN 1940691 ; CID12063 ; CD11016 ; LS-36758 ,and so on.3,5-Dibromobenzoic acid (618-58-6) is white to light yellow crystal powder.

IUPAC Name: 3,5-dibromobenzoic acid
CAS: 618-58-6
Molecular Formula: C7H4Br2O2
Molecular Weight: 279.91
Melting point:  218-220 °C(lit.)
Molecular structure:
ACD/LogD (pH 5.5): 1.43 
ACD/LogD (pH 7.4): 0.39 
ACD/BCF (pH 5.5): 2.34 
ACD/BCF (pH 7.4): 1 
ACD/KOC (pH 5.5): 16.75 
ACD/KOC (pH 7.4): 1.52 
H bond acceptors: 2 
H bond donors: 1 
Freely Rotating Bonds: 1 
Index of Refraction: 1.642 
Molar Refractivity: 48.56 cm3 
Molar Volume: 134.3 cm3 
Polarizability: 19.25 10-24cm
Surface Tension: 57.7 dyne/cm 
Density: 2.083 g/cm3 
Flash Point: 168.6 °C 
Enthalpy of Vaporization: 63.35 kJ/mol 
Boiling Point: 355.2 °C at 760 mmHg 
Vapour Pressure: 1.17E-05 mmHg at 25°C 

3,5-Dibromobenzoic acid Uses

3,5-Dibromobenzoic acid (618-58-6) is commonly used as pharmaceutical intermediate and pesticide intermediate.

3,5-Dibromobenzoic acid Toxicity Data With Reference

RTECS:  DG6290010

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 562mg/kg (562mg/kg) BEHAVIORAL: REGIDITY

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968.

 

3,5-Dibromobenzoic acid Safety Profile

Hazard Codes:  Xi
Risk Statements:  36/37/38 (36/37/38:  Irritating to eyes, respiratory system and skin)
Safety Statements:  26-37/39 (26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 37/39:  Wear suitable gloves and eye/face protection)
WGK Germany:  3
Hazard Note:  Irritant

3,5-Dibromobenzoic acid Specification

Removal in wastewater treatment of 3,5-Dibromobenzoic acid (618-58-6) can be stated as follows:
Total removal:16.92  percent
Total biodegradation:0.21  percent
Total sludge adsorption:16.70  percent
Total to Air:0.00  percent
(using 10000 hr Bio P,A,S)

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