ChemicalBook--->CAS DataBase List--->618-58-6

618-58-6

618-58-6 Structure

618-58-6 Structure
IdentificationMore
[Name]

3,5-Dibromobenzoic acid
[CAS]

618-58-6
[Synonyms]

3,5-DIBROMOBENZOIC ACID
BUTTPARK 99\57-19
RARECHEM AL BO 0773
3,5-dibromo-benzoicaci
Benzoic acid, 3,5-dibromo-
[Molecular Formula]

C7H4Br2O2
[MDL Number]

MFCD00051758
[Molecular Weight]

279.91
[MOL File]

618-58-6.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

218-220 °C (lit.)
[Boiling point ]

355.2±32.0 °C(Predicted)
[density ]

1.9661 (rough estimate)
[refractive index ]

1.4970 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Very faint turbidity in methanol.
[form ]

powder to crystal
[pka]

3.42±0.10(Predicted)
[color ]

White to Light yellow
[BRN ]

1940691
[InChI]

InChI=1S/C7H4Br2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
[InChIKey]

SFTFNJZWZHASAQ-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC(Br)=CC(Br)=C1
[CAS DataBase Reference]

618-58-6(CAS DataBase Reference)
[NIST Chemistry Reference]

3,5-Dibromobenzoic acid(618-58-6)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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 ]

DG6290010
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Anthranilic acid
[Preparation Products]

3,5-Dibromobenzonitrile-->3,5-di(pyridine-4-yl)benzoic acid-->3,5-dibroMobenzoic acid ethyl ester-->1H-BenziMidazole, 2-(3,5-dibroMophenyl)-1-phenyl-
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

3,5-Dibromobenzoic acid may be used for the syntheses (+)-menthyl 3,5-dibromobenzoate, di-tert-butyl 4-[2-(tert-butoxycarbonyl)ethyl]-4-(3,5-dibromobenzamido)heptanedioate2, (L)-methyl 2-(3,5-dibromobenzamido)-3-phenylpropanoate.
[General Description]

3,5-Dibromobenzoic acid is 3,5-dibromo-substituted benzoic acid.
[Synthesis]

3,5-Dibromobenzoic acid was synthesized from anthranilic acid by bromination, diazotization and additional reactions derived. The bromination reaction is carried out at about 20°C. After the reaction, the crystals are filtered, washed with hot water to remove anthranilic acid and hydrochloric acid, and recrystallized with acetic acid to obtain o-amino-3,5-dibromobenzoic acid; then use sodium nitrite to carry out diazotization in hydrochloric acid at about 0°C, then add the diazonium salt into ethanol containing calcium sulfate at 60-70°C in batches. After the addition is complete, continue stirring for 10 minutes, filter to obtain the crude product, and recrystallize with ethanol to obtain the finished product.
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-Dibromobenzoic acid(618-58-6)MS
3,5-Dibromobenzoic acid(618-58-6)1HNMR
3,5-Dibromobenzoic acid(618-58-6)13CNMR
3,5-Dibromobenzoic acid(618-58-6)IR1
3,5-Dibromobenzoic acid(618-58-6)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5-Dibromobenzoic acid(618-58-6)
[Alfa Aesar]

3,5-Dibromobenzoic acid, 98%(618-58-6)
[Sigma Aldrich]

618-58-6(sigmaaldrich)
[TCI AMERICA]

3,5-Dibromobenzoic Acid,>97.0%(GC)(T)(618-58-6)
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