벤젠 - 퓨어스펙트라™, 스펙트럼 순수, ≥99.7% , CAS No.71-43-2

CAS: 71-43-2 Cat. No.: B116186 분자식: C₆H₆ 분자량: 78.11 Beilstein Registry Number: 969212 EC 번호: 200-753-7

GRADE & PURITY PureSpectra™, Spectrum pure, ≥99.7%

Synonyms

파이로벤졸 | 캐스웰 077호 | NSC 67315 | 요오드화 페닐망간 | 벤젠 (USP-RS) | CCRIS 70 | 펜젠 | UNII-J64922108F | 벤젠 [네덜란드] | 22 - BTEX in Soil | 34J - WFD J | 벤젠 (IARC) | 벤졸 | 벤졸 [이탈리아] | 벤젠 [USP-RS] | 벤진 / 옵솔

Storage

Argon charged,Desiccated,Room temperature

Shipped In

보통

Specifications

동의어

파이로벤졸 | 캐스웰 077호 | NSC 67315 | 요오드화 페닐망간 | 벤젠 (USP-RS) | CCRIS 70 | 펜젠 | UNII-J64922108F | 벤젠 [네덜란드] | 22 - BTEX in Soil | 34J - WFD J | 벤젠 (IARC) | 벤졸 | 벤졸 [이탈리아] | 벤젠 [USP-RS] | 벤진 / 옵솔

사양 및 순도

퓨어스펙트라™, 스펙트럼 순수, ≥99.7%

보관 조건

Argon charged,Desiccated,Room temperature

배송

보통

등급

PureSpectra™, Spectrum pure

순수함

≥99.7%

이름과 식별자

Pubchem Sid

508816368

정식 스마일

C1=CC=CC=C1

IUPAC Name

benzene

InChIKey

UHOVQNZJYSORNB-UHFFFAOYSA-N

INCHI

1S/C6H6/c1-2-4-6-5-3-1/h1-6H

이성체 SMILES

C1=CC=CC=C1

WGK 독일

3

RTECS

CY1400000

UN 번호

1114

포장 그룹

II

분자량

78.11

Beilstein

969212

Reaxy-Rn

969212

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969212&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

관련 대상(인간)

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

관련 대상(비인간)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

E Lysozyme (95 Activities)

Discover Target: E

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility in water: Practically Insoluble; Degree of Solubility in water: 1.8 g/l 25 °C
• 감도: Hygroscopic.
• 굴절률: 1.50108
• 발화점(°C): -11℃
• 끓는점(°C): 80.1°C
• 녹는점(°C): 5.5°C
• 분자량: 78.110 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 78.047 Da
• Monoisotopic Mass: 78.047 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 15.500
• 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