Methyl 2-(bromomethyl)-3-nitrobenzoate

Basic Information

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CAS Number

98475-07-1

Molecular Formula

C9H8BrNO4

Molecular Weight

274.07 g/mol

Basic Physical Properties

Physical State

Powder

Melting Point

72.0 to 76.0 deg-C

Boiling Point

370.9°C at 760 mmHg

Density

1.624

Flash Point

178.1±25.1 °C

Refractive Index

1.593

SMILES

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COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CBr

InChI

InChI=1S/C9H8BrNO4/c1-15-9(12)6-3-2-4-8(11(13)14)7(6)5-10/h2-4H,5H2,1H3

InChIKey

FCGIVHSBEKGQMZ-UHFFFAOYSA-N

LogP

2.79950

Complexity

253

Safety Information

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Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

Methyl 2-(bromomethyl)-3-nitrobenzoate
2-bromomethyl-3-nitro-benzoic acid methyl ester
SCHEMBL332011
methyl 3-nitro-2-(bromomethyl)benzoate
FCGIVHSBEKGQMZ-UHFFFAOYSA-N
SY078642
MFCD04114315
98475-07-1
2-(bromomethyl)-3-nitrobenzoic acid, methyl ester
methyl-2-bromomethyl-3-nitro-benzoate
DTXSID90363373
METHYL 2-(BROMOMETHYL)-3-NITROBENZENECARBOXYLATE
methyl-2-bromomethyl-3-nitrobenzoate
SR-01000307055
CS-M1822
M2422
AKOS005069296
SR-01000307055-1
AB18052
EN300-28914
methyl 2-(bromomethyl)-3-nitro-benzoate
2-bromomethyl-3-nitro-benzoicacid methyl ester
FT-0658194
AB9646
2-Bromomethyl-3-nitro benzoic acid methyl ester
10W-0872
BCP08616
2-BROMOMETHYL-3-NITROBENZOIC ACID METHYL ESTER
methyl 2-bromomethyl-3-nitro-benzoate
Methyl2-bromomethyl-3-nitrobenzoate
AC-5512

MDL Number

MFCD04114315

Customs Code

2916399090

FAQ

What is Methyl 2-(bromomethyl)-3-nitrobenzoate (CAS: 98475-07-1)?

Methyl 2-(bromomethyl)-3-nitrobenzoate is an organic compound with the chemical formula C9H8BrNO4. It features a bromomethyl group at the 2-position and a nitro group at the 3-position on a benzene ring, with a methyl ester functional group. This compound is typically a yellow solid with low solubility in water and is used as an intermediate in chemical synthesis. Its structure makes it relevant in pharmaceutical and industrial applications.

What are the main uses of Methyl 2-(bromomethyl)-3-nitrobenzoate (CAS: 98475-07-1)?

Methyl 2-(bromomethyl)-3-nitrobenzoate is primarily used in pharmaceutical research as a precursor for developing antifungal and antibacterial agents. It also finds applications in organic chemistry for synthesizing dyes, pesticides, and other functional compounds. Additionally, it serves as an intermediate in industrial processes involving brominated nitroaromatics. Its versatility stems from the reactivity of the bromomethyl and nitro groups.

Is Methyl 2-(bromomethyl)-3-nitrobenzoate (CAS: 98475-07-1) safe?

Methyl 2-(bromomethyl)-3-nitrobenzoate is toxic if inhaled, ingested, or exposed to skin. It requires careful handling to avoid health risks, including irritation and potential systemic toxicity. Safety measures involve using personal protective equipment (PPE), ensuring proper ventilation, and following OSHA guidelines. It is classified under REACH regulations for chemical safety and should be stored securely to prevent accidental exposure.

How should Methyl 2-(bromomethyl)-3-nitrobenzoate (CAS: 98475-07-1) be stored?

Store Methyl 2-(bromomethyl)-3-nitrobenzoate in a sealed, cool (below 25°C), and dry container, away from light and moisture. It should be kept in a well-ventilated area to prevent vapor accumulation. Avoid contact with incompatible materials like strong bases or reducing agents. Maintain stability by ensuring proper storage conditions and adhering to safety standards for hazardous chemicals.