Methyl 3-amino-5-bromobenzoate

Basic Information

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CAS Number

706791-83-5

Molecular Formula

C8H8BrNO2

Molecular Weight

230.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

83-88℃

Boiling Point

332°C at 760 mmHg

SMILES

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COC(=O)C1=CC(=CC(=C1)Br)N

InChI

InChI=1S/C8H8BrNO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,10H2,1H3

InChIKey

MNXLJDUZJCMJCI-UHFFFAOYSA-N

LogP

1.8179

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

174

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

methyl 3-amino-5-bromo-benzoate
methyl-3-amino-5-bromobenzoate
DTXSID90596068
MFCD07786958
3-AMINO-5-BROMOBENZOIC ACID METHYL ESTER
AKOS012323115
TD1371
FT-0645184
Methyl 3-amino-5-bromobenzoate
EN300-179872
MNXLJDUZJCMJCI-UHFFFAOYSA-N
DS-18641
AC-28541
Methyl3-amino-5-bromobenzoate
SY034474
CS-W019455
Z1079174444
J-650242
SCHEMBL176618
BB 0259437
706791-83-5
TD1096
3-amino-5-bromo-benzoic acid methyl ester
3-AMINO-5-BROMOBENZOATE
Benzoic acid,3-amino-5-bromo-, methyl ester
AB0032088
ST2419543
X5364

MDL Number

MFCD07786958

Customs Code

2922499990

FAQ

What is Methyl 3-amino-5-bromobenzoate (CAS: 706791-83-5)?

Methyl 3-amino-5-bromobenzoate is an organic compound with the CAS number 706791-83-5. It has the chemical formula C9H9BrNO2 and is a white or off-white powder. It is soluble in water and has a characteristic odor. This compound is used in various applications including pharmaceuticals, dyes, and research.

What are the main uses of Methyl 3-amino-5-bromobenzoate (CAS: 706791-83-5)?

Methyl 3-amino-5-bromobenzoate (CAS: 706791-83-5) is primarily used in the pharmaceutical industry as an intermediate in drug synthesis. It also finds applications in the dye industry and as a research compound. Its versatility makes it useful in organic synthesis and as a precursor in the development of new chemicals.

Is Methyl 3-amino-5-bromobenzoate (CAS: 706791-83-5) safe?

Methyl 3-amino-5-bromobenzoate (CAS: 706791-83-5) is generally safe when handled with appropriate precautions. However, it should be used with caution due to its reactivity. Users should wear appropriate protective equipment, such as gloves and goggles, and ensure good ventilation. It is important to follow safety guidelines when storing and using this compound.

How should Methyl 3-amino-5-bromobenzoate (CAS: 706791-83-5) be stored?

Methyl 3-amino-5-bromobenzoate (CAS: 706791-83-5) should be stored in a cool, dry place, away from direct sunlight and sources of heat. It is advisable to keep it in a tightly sealed container to prevent moisture absorption. Proper storage conditions are crucial to maintain its stability and prevent degradation. Always check for any signs of contamination or changes in physical properties before use.