CAS 586-76-5 4-Bromobenzoic Acid - Materials / Alfa Chemistry

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4-Bromobenzoic Acid

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Catalog Number

ACM586765

Product Name

4-Bromobenzoic Acid

Structure

CAS

586-76-5

Category

Liquid Crystal (LC) Building Blocks

Description

4-bromobenzoic acid appears as colorless to red crystals. (NTP, 1992)

IUPAC Name

4-bromobenzoic acid

Molecular Weight

201.02

Molecular Formula

C7H5BrO2

Canonical SMILES

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

InChI

InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

InChI Key

TUXYZHVUPGXXQG-UHFFFAOYSA-N

Melting Point

255 °C

Purity

>98.0%(GC)(T)

Solubility

2.98e-04 M

Appearance

White to Light yellow powder to crystal

Complexity

128

Covalently-Bonded Unit Count

EC Number

209-581-7

Exact Mass

199.94729g/mol

Formal Charge

Hazard Statements

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

Heavy Atom Count

Log P

2.86 (LogP)

MDL Number

MFCD00002529

Monoisotopic Mass

199.94729g/mol

NSC Number

17582

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

6992P6102O

Vapor Pressure

9.95e-06 mmHg

XLogP3

2.9

MSDS

Download MSDS

COA