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| CAS No.: | 618-58-6 |
|---|---|
| Name: | 3,5-Dibromobenzoic acid |
| Article Data: | 17 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C7H4Br2O2 |
| Molecular Weight: | 279.916 |
| Synonyms: | 3,5-dibromo-benzoic acid;BENZOIC ACID,3,5-DIBROMO;3,5-dibromobenzoate;3,5-Dibrom-benzoesaeure; |
| Density: | 2.083 g/cm3 |
| Melting Point: | 218-220 °C(lit.) |
| Boiling Point: | 355.2 °C at 760 mmHg |
| Flash Point: | 168.6 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 37.30000 |
| LogP: | 2.90980 |
- 618-61-1Benzenamine,3-methyl-5-nitro-
- 618-62-2Benzene,1,3-dichloro-5-nitro-
- 6186-22-72-Propanone,1-(4-bromophenyl)-
- 61865-50-7Acetamide,N-[(1R,4S)-4-[(acetyloxy)methyl]-2-cyclopenten-1-yl]-, rel-
- 61869-08-7Piperidine,3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S,4R)-
- 618-73-5Benzamide,3,4,5-trihydroxy-
- 61874-04-2Benzeneaceticacid, 3-formyl-4-hydroxy-, methyl ester
- 61874-13-3Benzenamine,2,6-diethyl-N-(2-propoxyethyl)-
- 61878-57-7Benzene, methyl-,trichloro deriv.
- 618-80-4Phenol,2,6-dichloro-4-nitro-
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Chemistry
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 10-24cm3
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
Uses
3,5-Dibromobenzoic acid (618-58-6) is commonly used as pharmaceutical intermediate and pesticide intermediate.
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. |
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
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)