CAS 1122-91-4 4-Bromobenzaldehyde - Materials / Alfa Chemistry

NAVIGATION

4-Bromobenzaldehyde

PRICE INQUIRY

Catalog Number

ACM1122914-2

CAS Number

1122-91-4

Product Name

4-Bromobenzaldehyde

Category

Liquid Crystal (LC) Building Blocks

IUPAC Name

4-bromobenzaldehyde

Molecular Weight

185.02

Molecular Formula

C7H5BrO

Canonical SMILES

C1=CC(=CC=C1C=O)Br

InChI

InChI=1S/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H

InChI Key

ZRYZBQLXDKPBDU-UHFFFAOYSA-N

Boiling Point

125 °C/23 mmHg

Melting Point

57 °C

Purity

>97.0%(GC)

Density

Air Sensitive

Appearance

White to Light yellow powder to crystal

Application

4-Bromobenzaldehyde, a white crystalline solid, serves numerous purposes in the field of organic chemistry. It is extensively used as an intermediate in the synthesis of agrochemicals and pharmaceuticals, as well as various other organic compounds. This compound acts as a precursor in the formation of Schiff's base, specifically in the reaction with sulfamethoxazole, yielding a product that enhances the photostability of polyvinyl chloride (PVC). Furthermore, 4-Bromobenzaldehyde is crucial in palladium-catalyzed mono- and bis-arylation reactions involving 3,4-(ethylenedioxy)thiophenes and is also a key component in cross-coupling studies with potassium vinyltrifluoroborate.

Storage

Store under inert gas

Complexity

95.1

Covalently-Bonded Unit Count

EC Number

214-365-0

Exact Mass

183.95238g/mol

Formal Charge

Hazard Statements

H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00003377

Monoisotopic Mass

183.95238g/mol

NSC Number

21638

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.

Rotatable Bond Count

Signal Word

Warning

UNII

4L8VM24F65

XLogP3

2.2

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