Bromfenac sodium hydrate

Basic Information

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CAS Number

120638-55-3

Molecular Formula

C30H28Br2N2Na2O9

Molecular Weight

766.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

285-292°C

SMILES

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C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)[O-].C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)[O-].O.O.O.[Na+].[Na+]

InChI

InChI=1S/2C15H12BrNO3.2Na.3H2O/c2*16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19;;;;;/h2*1-7H,8,17H2,(H,18,19);;;3*1H2/q;;2*+1;;;/p-2

InChIKey

PPOSVVJOVKVBPW-UHFFFAOYSA-L

LogP

3.47060

Complexity

361

Safety Information

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GHS Hazard Pictograms

H410

Hazard Statement

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

CHEBI:59176
Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, monosodium salt, sesquihydrate
Xibrom (TN)
DTXSID8044206
8ECV571Y37
disodium;2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate;trihydrate
BROMFENAC SODIUM HYDRATE [JAN]
sodium [2-amino-3-(p-bromobenzoyl)phenyl]acetate sesquihydrate
Disodium 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate trihydrate
DTXCID6024206
Bromfenac Sodium Sesquihydrate
BROMFENAC SODIUM [MART.]
bromfenac sodium salt sesquihydrate
2-amino-3-(4-bromobenzoyl)benzene-acetic acid sodium salt sesquihydrate
sodium [2-amino-3-(4-bromobenzoyl)phenyl]acetate sesquihydrate
Bromfenac sodium [USAN]
sodium 2-amino-3-(4-bromobenzoyl) phenylacetate sesquihydrate
Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, monosodium salt, hydrate (2:3)
Xibrom
AKOS016008745
Bromday (TN)
Bromfenac sodium hydrate (JP17)
NCGC00263519-01
D03163
Bromfenac sodium (USAN)
Sodium 2-(2-amino-3-(4-bromobenzoyl)-phenyl)acetate trihydrate
CHEMBL3181947
E79221
BENZENEACETIC ACID, 2-AMINO-3-(4-BROMOBENZOYL)-, SODIUM SALT, HYDRATE (2:2:3)
Bromfenac monosodium salt sesquihydrate
Sodium (2-amino-3-(4-bromobenzoyl)phenyl)acetate

MDL Number

MFCD09953182

FAQ

What are the physical and chemical properties of Bromfenac sodium hydrate (CAS: 120638-55-3)?

Bromfenac sodium hydrate is a white or off-white crystalline powder with a molecular weight of approximately 364.8 g/mol. It is slightly soluble in water and almost insoluble in organic solvents. Chemically, it is a salt of bromfenac and sodium, and it displays general reactivity typical of carboxylic acid salts, including potential hydrolytic instability under alkaline conditions.

How is Bromfenac sodium hydrate (CAS: 120638-55-3) typically synthesized?

Bromfenac sodium hydrate is typically synthesized by reacting bromfenac, a 1,2-benzothiazine-3-carboxylic acid derivative, with sodium hydroxide in a suitable solvent. The reaction involves esterification followed by base hydrolysis to obtain the sodium salt. Common synthetic methods include phase transfer catalysis and use of organic bases to improve selectivity and yield.

What industries use Bromfenac sodium hydrate (CAS: 120638-55-3)?

Bromfenac sodium hydrate is primarily used in the pharmaceutical industry as an anti-inflammatory and analgesic agent. It is also explored for use in polymer and sensor applications due to its chemical stability and reactivity. In the semiconductor industry, it is considered for its potential use in certain manufacturing processes.

What precautions should be taken when handling Bromfenac sodium hydrate (CAS: 120638-55-3)?

When handling Bromfenac sodium hydrate, it is important to use personal protective equipment (PPE) such as gloves and goggles. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Safety data sheets (SDS) should be consulted for detailed handling and disposal instructions.