Anthranil - ≥98%(GC) , CAS No.271-58-9

CAS: 271-58-9 Cat. No.: A151655 분자식: C₇H₅NO 분자량: 119.12 Beilstein Registry Number: 27(4)1068 EC 번호: 205-980-5

등급 & 순도 ≥98%(GC)

Synonyms

SCHEMBL175342 | AKOS005255306 | InChI=1/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5 | NCIOpen2_002087 | T70698 | EINECS 205-980-5 | DTXSID00181565 | SY051668 | 2,1-benzoxazole | NSC99331 | NSC-99331 | UNII-58GQ20G9W6 | Benz(c)isoxazole | Anthranil, 99% | 2,1-Benzi

Storage

Argon charged,Room temperature

Shipped In

Normal

사양

동의어

SCHEMBL175342 | AKOS005255306 | InChI=1/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5 | NCIOpen2_002087 | T70698 | EINECS 205-980-5 | DTXSID00181565 | SY051668 | 2,1-benzoxazole | NSC99331 | NSC-99331 | UNII-58GQ20G9W6 | Benz(c)isoxazole | Anthranil, 99% | 2,1-Benzi

사양 및 순도

≥98%(GC)

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

504754163

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754163

정식 스마일

C1=CC2=CON=C2C=C1

IUPAC Name

2,1-benzoxazole

InChIKey

FZKCAHQKNJXICB-UHFFFAOYSA-N

INCHI

1S/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H

이성체 SMILES

C1=CC2=CON=C2C=C1

WGK 독일

3

분자량

119.12

Beilstein

27(4)1068

Reaxy-Rn

2222

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2222&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenoids
• Alternative Parents: Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenoid - Heteroaromatic compound - Isoxazole - Azole - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.
• External Descriptors: mancude organic heterobicyclic parent - 2,1-benzoxazoles

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

• 감도: air sensitive
• 굴절률: 1.58
• 발화점(°F): 201.2 °F
• 발화점(°C): 94°C(lit.)
• 끓는점(°C): 101°C/15mmHg(lit.)
• 분자량: 119.120 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 119.037 Da
• Monoisotopic Mass: 119.037 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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