| Identification | More | [Name]
3-Bromobenzoic acid | [CAS]
585-76-2 | [Synonyms]
3-BROMBENZOIC ACID
3-BROMOBENZOIC ACID
M-BROMOBENZOIC ACID
M-CARBOXYBENZYL BROMIDE
RARECHEM AL BO 0037
3-bromo-benzoicaci
Benzoic acid, m-bromo-
Benzoicacid,3-bromo-
Brombenzoicacid
3-Bromobenzene carboxylic acid
m-Bromobenzoic Acid 3-Bromobenzoic Acid
3-BromobenzoicAcid99%
3-BROMO BENZOIC ACID FOR SYNTHESIS
3-Bromobenzoicacid,98+%
Brombenzoesaure | [EINECS(EC#)]
209-562-3 | [Molecular Formula]
C7H5BrO2 | [MDL Number]
MFCD00002487 | [Molecular Weight]
201.02 | [MOL File]
585-76-2.mol |
| Chemical Properties | Back Directory | [Appearance]
White to light yellow crystal powder | [Melting point ]
155-158 °C(lit.)
| [Boiling point ]
>280 °C | [density ]
1,948 g/cm3 | [refractive index ]
1.6080 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
methanol: soluble50mg/mL, clear, colorless | [form ]
Powder | [pka]
3.86(at 25℃) | [color ]
White to light beige | [Water Solubility ]
0.54 g/L (32 ºC) | [BRN ]
2041792 | [InChI]
1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) | [InChIKey]
VOIZNVUXCQLQHS-UHFFFAOYSA-N | [SMILES]
OC(=O)c1cccc(Br)c1 | [CAS DataBase Reference]
585-76-2(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, 3-bromo-(585-76-2) | [EPA Substance Registry System]
585-76-2(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R37/38:Irritating to respiratory system and skin .
R36:Irritating to the eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29163900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White to light yellow crystal powder | [Uses]
3-Bromobenzoic acid was used as test solute in the determination of acidity constants by capillary zone electrophoresis. It was used as internal standard to study the retention mechanisms of an unmodified and a hydroxylated polystyrene-divinylbenzene polymer by solid-phase extraction. It was also used in synthesis of N-(1,1-dimethyl-2-hydroxyethyl)-3-bromobenzamide. | [Definition]
ChEBI:3-bromobenzoic acid is a bromobenzoic acid carrying a single bromo subsituent at the 3-position. | [Preparation]
3-Bromobenzoic acid is synthesized from 3-bromotoluene by oxidation of potassium permanganate. Mix m-bromotoluene, potassium hydroxide and water, heat to boiling, slowly add potassium permanganate, and reflux for 4 hours after adding. After acidification by filtration, the crude product was obtained by filtration. Then it is dissolved in ethanol with ammonia water, acidified with hydrochloric acid, filtered and washed with water to obtain 3-bromobenzoic acid. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 15, p. 481, 1950 DOI: 10.1021/jo01149a007 | [Purification Methods]
Crystallise the acid from acetone/water, MeOH or acetic acid. The anilide has m 137o (from EtOH/H2O). [Beilstein 9 IV 1013.] |
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