Styrene oxide - ≥98% , CAS No.96-09-3

CAS: 96-09-3 Cat. No.: S106990 분자식: C₈H₈O 분자량: 120.15 Beilstein Registry Number: 108582 EC 번호: 202-476-7

등급 & 순도 ≥98%

Synonyms

2-(phenyl)oxirane | AC-9510 | BP-21407 | CAS-96-09-3 | Phenyl oxirane | (+/-)-styrene oxide | c0037 | DTXSID2021286 | Ethane, 1,2-epoxy-1-phenyl- | HSDB 2646 | rac Styrene Oxide | MFCD00064310 | (1,2-Epoxyethyl)benzene | 1-Phenyl-1,2-epoxyethane | 2-Pheny

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

사양

동의어

2-(phenyl)oxirane | AC-9510 | BP-21407 | CAS-96-09-3 | Phenyl oxirane | (+/-)-styrene oxide | c0037 | DTXSID2021286 | Ethane, 1,2-epoxy-1-phenyl- | HSDB 2646 | rac Styrene Oxide | MFCD00064310 | (1,2-Epoxyethyl)benzene | 1-Phenyl-1,2-epoxyethane | 2-Pheny

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice,FedEx DG Service

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순수함

≥98%

이름과 식별자

Pubchem Sid

508814018

정식 스마일

C1C(O1)C2=CC=CC=C2

IUPAC Name

2-phenyloxirane

InChIKey

AWMVMTVKBNGEAK-UHFFFAOYSA-N

INCHI

1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2

이성체 SMILES

C1C(O1)C2=CC=CC=C2

WGK 독일

3

RTECS

CZ9625000

UN 번호

2810

포장 그룹

I

분자량

120.15

Beilstein

108582

Reaxy-Rn

108582

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108582&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: Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic 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: styrene oxide

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

GSTM1 Tbio Glutathione S-transferase Mu 1 (61 Activities)

Discover Target: GSTM1

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

FBP1 Tchem Fructose-1,6-bisphosphatase (1199 Activities)

Discover Target: FBP1

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water.
• 감도: Air and moisture sensitive
• 굴절률: 1.533-1.536
• 발화점(°F): 165.2 °F
• 발화점(°C): 77℃
• 끓는점(°C): 194°C
• 녹는점(°C): -37°C
• 분자량: 120.150 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 120.058 Da
• Monoisotopic Mass: 120.058 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1