Benzyl (4-bromo-3-fluorophenyl)carbamate

Basic Information

View in Editor

CAS Number

510729-01-8

Molecular Formula

C14H11BrFNO2

Molecular Weight

324.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

359.7±42.0°C at 760 mmHg

Density

1.543±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

View in Editor

C1=CC=C(C=C1)COC(=O)NC2=CC(=C(C=C2)Br)F

InChI

InChI=1S/C14H11BrFNO2/c15-12-7-6-11(8-13(12)16)17-14(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)

InChIKey

UPTMRBYILBFUPA-UHFFFAOYSA-N

LogP

4.336900000000002

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

297

Safety Information

View Safety Information

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

Benzyl (4-bromo-3-fluorophenyl)carbamate
(4-Bromo-3-fluorophenyl)carbamic Acid Benzyl Ester
4-Bromo-3-fluoroaniline
4-BROMO-3-FLUOROANILINE, N-CBZ PROTECTED
benzyl N-(4-bromo-3-fluorophenyl)carbamate
DA7157
Torezolid Intermediate4
TR700
Torezolid Impurity 17
(4-Bromo-3-fluoro-phenyl)-carbamic Acid Benzyl Ester
UPTMRBYILBFUPA-UHFFFAOYSA-N
AK137079
ST24046073
N-Cbz 4-bromo-3-fluoroaniline
DTXSID00736731
A871380
DB-124557
SCHEMBL2088984
DS-5668
NS00005267
510729-01-8
Benzyl(4-bromo-3-fluorophenyl)carbamate
EC 695-996-2
CS-0158605
AKOS022171509
SY269748
MFCD23381075
4-Bromo-3-fluoroaniline, N-CBZ protected
N-(4-Bromo-3-fluorophenyl)carbamic acid phenylmethyl ester
EN300-4605142
Benzyl (4-bromo-3-fluorophenyl)carbamate, Phenylmethyl (4-bromo-3-fluorophenyl)carbamate

MDL Number

MFCD23381075

FAQ

What are the physical and chemical properties of Benzyl (4-bromo-3-fluorophenyl)carbamate (CAS: 510729-01-8)?

Benzyl (4-bromo-3-fluorophenyl)carbamate (CAS: 510729-01-8) is a white crystalline solid. Its molecular weight is approximately 349.07 g/mol. It is slightly soluble in water but has good solubility in organic solvents like ethanol and acetone. The compound is known for its moderate reactivity, particularly in nucleophilic substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from moisture and strong acids.

How is Benzyl (4-bromo-3-fluorophenyl)carbamate (CAS: 510729-01-8) typically synthesized?

Benzyl (4-bromo-3-fluorophenyl)carbamate is typically synthesized through a multi-step process involving bromination and carbamylation. The initial step involves bromination of 3-fluoro-4-hydroxybenzylamine to form the brominated intermediate. This intermediate is then treated with benzyl chloride in the presence of a catalytic amount of base to produce the desired carbamate compound. The reaction conditions include anhydrous organic solvents and elevated temperatures to ensure high yield and selectivity.

What industries use Benzyl (4-bromo-3-fluorophenyl)carbamate (CAS: 510729-01-8)?

Benzyl (4-bromo-3-fluorophenyl)carbamate (CAS: 510729-01-8) is primarily used in the pharmaceutical industry for the synthesis of various drug intermediates. It also finds applications in the polymer industry for the production of specialized polymers. Additionally, it is used in the development of sensors and semiconductors due to its unique chemical properties and reactivity.

What precautions should be taken when handling Benzyl (4-bromo-3-fluorophenyl)carbamate (CAS: 510729-01-8)?

When handling Benzyl (4-bromo-3-fluorophenyl)carbamate (CAS: 510729-01-8), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and strong acids. In case of a spill, it should be carefully cleaned up using absorbent materials. It is recommended to work with the compound in a well-ventilated area or a fume hood to minimize inhalation risks. Always refer to the Safety Data Sheet (SDS) for detailed safety guidelines and emergency procedures.