106896-49-5

106896-49-5 - Names and Identifiers

Name	Methyl 4-amino-3-bromobenzoate
Synonyms	4-aMino-3-broMobenzoate Methyl 4-amino-3-bromoben METHYL 4-AMINO-3-BROMOBENZOATE Methyl 4-amino-3-bromobenzoate 4-AMINO-3-BROMO-BENZOIC ACID METHYL ESTER BENZOIC ACID, 4-AMINO-3-BROMO-, METHYL ESTER
CAS	106896-49-5
InChI	InChI=1/C8H8BrNO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3
InChIKey	AIUWAOALZYWQBX-UHFFFAOYSA-N

106896-49-5 - Physico-chemical Properties

Molecular Formula	C8H8BrNO2
Molar Mass	230.06
Density	1.6270 (rough estimate)
Melting Point	105-109 °C
Boling Point	334.2±22.0 °C(Predicted)
Flash Point	155.9°C
Vapor Presure	0.00013mmHg at 25°C
Appearance	White to Brown to Red Powder or Crystalline
Color	Brown
pKa	0.41±0.10(Predicted)
Storage Condition	under inert gas (nitrogen or Argon) at 2–8 °C
Refractive Index	1.6120 (estimate)
MDL	MFCD01861385

106896-49-5 - Risk and Safety

Risk Codes	R22 - Harmful if swallowed R36 - Irritating to the eyes R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S37/39 - Wear suitable gloves and eye/face protection
UN IDs	UN 2811 6.1/PG 3
WGK Germany	3
HS Code	29163100
Hazard Note	Irritant

106896-49-5 - Introduction

Methyl 4-amino-3-bromobenzoate is an organic compound with the chemical formula C8H8BrNO2. The following is a description of its nature, use, preparation and safety information:

Nature:
-Appearance: Methyl 4-amino-3-bromobenzoate is a colorless to pale yellow solid.
-Melting point: about 45-50 ℃.
-Boiling point: about 238-240 ℃.
-Density: 1.48-1.50g/cm³.
-Solubility: Slightly soluble in water, soluble in organic solvents such as ethanol and dichloromethane.

Use:
-4-Amino-3-bromobenzoic acid methyl ester is an important pharmaceutical intermediate, commonly used in the synthesis of antibiotics and other drugs.
-It is also used in nucleophilic substitution reactions and aromatic substitution reactions in the field of organic synthesis.

Preparation Method:
- 4-amino -3-bromobenzoic acid methyl ester can be prepared by nucleophilic substitution reaction of bromotoluene. First, bromotoluene reacts with methyl carbamate to produce methyl 4-amino-3-bromobenzoate under the catalysis of alkali.

Safety Information:
- 4-amino -3-bromobenzoic acid methyl ester has a certain toxicity, irritation to the eyes, skin and respiratory system. During use, appropriate protective equipment should be worn to avoid direct contact.
-should be away from the fire and high temperature environment, to avoid the production of flammable vapor.
-During storage, it should be kept in a cool, dry, well-ventilated place, and avoid contact with oxidants and strong acids.

Last Update：2024-04-09 02:00:41