1,2-Dimethylnaphthalene - ≥95% , CAS No.573-98-8

CAS: 573-98-8 Cat. No.: D155010 Fórmula: C₁₂H₁₂ Peso molecular: 156.23 Beilstein Registry Number: 2039380 Número CE: 209-364-7

GRADE & PURITY ≥95%

Synonyms

Q27115775 | 1,2-Dimethylnaphthalene, 98% | Naphthalene, dimethyl- | 1,2-DIMETHYLNAPHTHALENE | 1,2-Dimethyl-naphthalene | 1,2-Dimethylnaphthalene, 95% | BDBM50159280 | DSSTox_CID_5130 | D89712 | FT-0606428 | NSC59832 | NSC-59832 | Tox21_202167 | 23T7O135BD

Storage

Argon charged,Room temperature

Shipped In

Normal

Visão geral

Product Describtion:

1,2-Dimethylnaphthalene is a polycyclic aromatic hydrocarbon. Its effect on the naupliar and adult stages of the marine cyclopoid copepod Oithona davisae is reported.

Product Application:

1,2-Dimethylnaphthalene is suitable reagent used to investigate the secondary organic aerosol (SOA) production via gas-phase photooxidation.

Specifications

Sinónimos

Q27115775 | 1,2-Dimethylnaphthalene, 98% | Naphthalene, dimethyl- | 1,2-DIMETHYLNAPHTHALENE | 1,2-Dimethyl-naphthalene | 1,2-Dimethylnaphthalene, 95% | BDBM50159280 | DSSTox_CID_5130 | D89712 | FT-0606428 | NSC59832 | NSC-59832 | Tox21_202167 | 23T7O135BD

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504752100

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752100

Sorrisos canónicos

CC1=C(C2=CC=CC=C2C=C1)C

IUPAC Name

1,2-dimethylnaphthalene

InChIKey

QNLZIZAQLLYXTC-UHFFFAOYSA-N

INCHI

1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3

SMILES isoméricas

CC1=C(C2=CC=CC=C2C=C1)C

WGK Alemanha

3

Peso molecular

156.23

Beilstein

2039380

Reaxy-Rn

2039376

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039376&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• External Descriptors: dimethylnaphthalene

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

Alvos associados (humanos)

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

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

Alvos associados (não humanos)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Difficult to mix in water.
• Sensibilidade: Air Sensitive
• Índice de refração: 1.62
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 132°C/12mmHg(lit.)
• Ponto de fusão (°C): -2 °C
• Peso molecular: 156.220 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 156.094 Da
• Monoisotopic Mass: 156.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• 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