Alpha, alpha'-Dichloro-p-xylene

CAS Number: 623-25-6

Molecular Formula: C8H8Cl2

Purity: 98% purity

About Alpha, alpha'-Dichloro-p-xylene

Alpha, alpha'-Dichloro-p-xylene (CAS 623-25-6) serves as a critical monomer for the chemical vapor deposition of poly(p-phenylene vinylene) nanotubes, driving significant demand among high purity fine chemicals stakeholders focused on advanced optoelectronics and semiconductor applications. 1,4-Bis(chloromethyl)benzene...

Alpha, alpha'-Dichloro-p-xylene Specifications

CAS Number

623-25-6

Molecular Formula

C8H8Cl2

Molecular Weight

175.05 g/mol

IUPAC Name

1,4-bis(chloromethyl)benzene

Canonical SMILES

C1=CC(=CC=C1CCl)CCl

InChI Key

ZZHIDJWUJRKHGX-UHFFFAOYSA-N

InChI

InChI=1S/C8H8Cl2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2

PubChem CID

12171

UNII Code

55E5A3M473

DSSTox Substance ID

DTXSID7022091

EINECS Number

210-782-7

MDL Number

MFCD00000920

CAS Number

623-25-6

Molecular Formula

C8H8Cl2

Molecular Weight

175.05 g/mol

IUPAC Name

1,4-bis(chloromethyl)benzene

Canonical SMILES

C1=CC(=CC=C1CCl)CCl

InChI Key

ZZHIDJWUJRKHGX-UHFFFAOYSA-N

InChI

InChI=1S/C8H8Cl2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2

PubChem CID

12171

UNII Code

55E5A3M473

DSSTox Substance ID

DTXSID7022091

EINECS Number

210-782-7

MDL Number

MFCD00000920

Molecular Weight

175.05 g/mol

XLogP3

2.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

174.0003056 Da

Monoisotopic Mass

174.0003056 Da

Alpha, alpha'-Dichloro-p-xylene purity

98% purity

Appearance

White to orange to green powder to crystal

GHS Hazard Statements

H302 (98.2%): Harmful if swallowed H314 (16.1%): Causes severe skin burns and eye damage H315 (82.1%): Causes skin irritation H319 (80.4%): Causes serious eye irritation H330 (16.1%): Fatal if inhaled H400 (96.4%): Very toxic to aquatic life H410 (96.4%): Very toxic to aquatic life with long lasting effects

Hazard Classes and Categories

Acute Tox. 4 (98.2%) Skin Corr. 1B (16.1%) Skin Irrit. 2 (82.1%) Eye Irrit. 2 (80.4%) Acute Tox. 2 (16.1%) Aquatic Acute 1 (96.4%) Aquatic Chronic 1 (96.4%)

Polymer Monomer

A crucial building block used in the preparation of poly(p-phenylene vinylene) (PPV) nanotubes and nanorods through chemical vapor deposition (CVD) polymerization for applications in optoelectronics and light-emitting devices

Organic Synthesis Intermediate

A versatile functionalized aromatic compound utilized for the manufacture of terephthalic acid, terephthalaldehyde, p-phenylenediamine, and various dyes and pigments

Pharmaceutical and Agrochemical Intermediate

An important industrial precursor used in the synthesis of diverse medicinal compounds, active pharmaceutical ingredients, and agricultural chemicals

Material Science Research Tool

A reagent used in academic studies to investigate phase-transfer-catalysed polycondensation and the influence of monomer selection on the luminescence properties of carbon-carbon chain polymers

Synthesis of Biologically Active Heterocycles

Precursor to construct complex bicyclic, polycyclic, and macrocyclic ring systems. Chlorine atoms act as excellent leaving groups in nucleophilic substitution reactions, enabling the introduction of cyanomethyl groups (via reaction with cyanides)

Linker for Dimeric and Multivalent Drugs

Two highly reactive chloromethyl groups sit on opposite ends of the stable benzene ring, allowing chemists to link two identical or different active pharmacological molecules together