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

CAS: 118-69-4 Cat. No.: D112665 분자식: C₇H₆Cl₂ 분자량: 161.03 Beilstein Registry Number: 1907194 EC 번호: 204-269-7

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥99%

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥99%

이름과 식별자

Pubchem Sid

504751657

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

CC1=C(C=CC=C1Cl)Cl

WGK 독일

2

UN 번호

3082

포장 그룹

III

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water
• 굴절률: 1.55
• 발화점(°F): 197.6℉
• 발화점(°C): 92°C
• 끓는점(°C): 198°C
• 녹는점(°C): 2°C
• 분자량: 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

자주 묻는 질문

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.