2,3-Dichloronitrobenzene - ≥98% , CAS No.3209-22-1

CAS: 3209-22-1 Cat. No.: D107537 분자식: C₆H₃Cl₂NO₂ 분자량: 192.00 Beilstein Registry Number: 2048029 EC 번호: 221-717-7

GRADE & PURITY ≥98%

Synonyms

DTXSID8024997 | E78836 | NCGC00091860-01 | Benzene, 1,2-dichloro-3-nitro- | NSC60641 | NSC-60641 | A821127 | CCRIS 5901 | EC 221-717-7 | MFCD00007062 | 1,2-Dichloro-3-nitrobenzene | 1,2-Dichloro-3-nitro-benzene | EN300-21775 | InChI=1/C6H3Cl2NO2/c7-4-2-1-

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

DTXSID8024997 | E78836 | NCGC00091860-01 | Benzene, 1,2-dichloro-3-nitro- | NSC60641 | NSC-60641 | A821127 | CCRIS 5901 | EC 221-717-7 | MFCD00007062 | 1,2-Dichloro-3-nitrobenzene | 1,2-Dichloro-3-nitro-benzene | EN300-21775 | InChI=1/C6H3Cl2NO2/c7-4-2-1-

사양 및 순도

≥98%

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥98%

이름과 식별자

Pubchem Sid

488182487

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182487

정식 스마일

C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-]

IUPAC Name

1,2-dichloro-3-nitrobenzene

InChIKey

CMVQZRLQEOAYSW-UHFFFAOYSA-N

INCHI

1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H

이성체 SMILES

C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-]

WGK 독일

3

RTECS

CZ5240000

UN 번호

3077

포장 그룹

III

분자량

192.00

Beilstein

2048029

Reaxy-Rn

2048029

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048029&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Dichlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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

관련 대상(인간)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Degree of Solubility in water: 62.4 mg/l 20 °C; Soluble in Acetone,Ether,Ethanol
• 발화점(°C): 123°C
• 끓는점(°C): 257-258°C
• 녹는점(°C): 60-64°C
• 분자량: 192.000 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 190.954 Da
• Monoisotopic Mass: 190.954 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 159.000
• 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 ≥98% 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 3209-22-1, the molecular formula is C6H3Cl2NO2, and the molecular weight is 192.00 g/mol. InChIKey CMVQZRLQEOAYSW-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.