Chlorobenzene - ≥99.5% , CAS No.108-90-7

CAS: 108-90-7 Cat. No.: C105082 Formula: C₆H₅Cl Molecular Weight: 112.56 Beilstein Registry Number: 605632 EC Number: 203-628-5

GRADE & PURITY ≥99.5%

Synonyms

I P Carrier T 40 | Chlorobenzene, anhydrous, ZerO2(TM), 99.8% | CP 27 | UN1134 | Chloorbenzeen [Dutch] | CHLOROBENZENE [USP-RS] | Chlorobenzene ACS grade | Abluton T30 | Chlorobenzene, for HPLC, 99.9% | EINECS 270-127-6 | FT-0664554 | UN 1134 | BIDD:ER028

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

I P Carrier T 40 | Chlorobenzene, anhydrous, ZerO2(TM), 99.8% | CP 27 | UN1134 | Chloorbenzeen [Dutch] | CHLOROBENZENE [USP-RS] | Chlorobenzene ACS grade | Abluton T30 | Chlorobenzene, for HPLC, 99.9% | EINECS 270-127-6 | FT-0664554 | UN 1134 | BIDD:ER028

Specifications & Purity

≥99.5%

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Purity

≥99.5%

Names and Identifiers

Pubchem Sid

504751528

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751528

Canonical Smiles

C1=CC=C(C=C1)Cl

IUPAC Name

chlorobenzene

InChIKey

MVPPADPHJFYWMZ-UHFFFAOYSA-N

INCHI

1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H

Isomeric SMILES

C1=CC=C(C=C1)Cl

WGK Germany

1

UN Number

1134

Packing Group

III

Molecular Weight

112.56

Beilstein

605632

Reaxy-Rn

605632

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605632&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• External Descriptors: an aromatic compound

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water, soluble in most organic solvents such as ethanol, ether, chloroform, carbon disulfide, benzene, etc.
• Sensitivity: Light sensitive
• Refractive Index: 1.5248
• Flash Point(°F): 82°F
• Flash Point(°C): 28℃
• Boil Point(°C): 131-132°C
• Melt Point(°C): -45°C
• Molecular Weight: 112.550 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 112.008 Da
• Monoisotopic Mass: 112.008 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99.5% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 108-90-7, the molecular formula is C6H5Cl, and the molecular weight is 112.56 g/mol. InChIKey MVPPADPHJFYWMZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.