2，6-Dichlorotoluene - ≥99% , CAS No.118-69-4

CAS: 118-69-4 Cat. No.: D112665 Formule: C₇H₆Cl₂ Poids moléculaire: 161.03 Beilstein Registry Number: 1907194 Numéro CE: 204-269-7

GRADE & PURITY ≥99%

Synonyms

NSC60722 | NSC-60722 | STR01117 | FT-0610637 | NCGC00163990-01 | NSC 60722 | J-507460 | NCGC00255492-01 | HSDB 4020 | CAS-118-69-4 | RVM09757WW | AI3-26487 | UNII-RVM09757WW | AKOS009158798 | Benzene,3-dichloro-2-methyl- | EN300-30895 | SCHEMBL112040 | To

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonymes

NSC60722 | NSC-60722 | STR01117 | FT-0610637 | NCGC00163990-01 | NSC 60722 | J-507460 | NCGC00255492-01 | HSDB 4020 | CAS-118-69-4 | RVM09757WW | AI3-26487 | UNII-RVM09757WW | AKOS009158798 | Benzene,3-dichloro-2-methyl- | EN300-30895 | SCHEMBL112040 | To

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504751657

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751657

Sourires canoniques

CC1=C(C=CC=C1Cl)Cl

IUPAC Name

1,3-dichloro-2-methylbenzene

InChIKey

DMEDNTFWIHCBRK-UHFFFAOYSA-N

INCHI

1S/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3

Isomères SMILES

CC1=C(C=CC=C1Cl)Cl

WGK Allemagne

2

Numéro ONU

3082

Groupe d'emballage

III

Poids moléculaire

161.03

Beilstein

1907194

Reaxy-Rn

1907194

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907194&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Toluenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Toluene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: Not available

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water
• Indice de réfraction: 1.55
• Point d'éclair (°F): 197.6℉
• Point d'éclair (°C): 92°C
• Point d'ébullition (°C): 198°C
• Point de fusion (°C): 2°C
• Poids moléculaire: 161.030 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 159.985 Da
• Monoisotopic Mass: 159.985 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 82.900
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 118-69-4, the molecular formula is C7H6Cl2, and the molecular weight is 161.03 g/mol. InChIKey DMEDNTFWIHCBRK-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.