Anthranilonitrile - ≥98% , CAS No.1885-29-6

CAS: 1885-29-6 Cat. No.: A107481 分子式: C₇H₆N₂ 分子量: 118.14 Beilstein Registry Number: 907187 EC番号: 217-549-9

GRADE & PURITY ≥98%

Synonyms

2-Aminobenzonitrile | F0020-1996 | Tox21_304036 | InChI=1/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H | 2-Cyanoaniline | Ushinsunine, oxo- | 2-aminobenzenecarbonitrile | Benzonitrile, amino- | 2-amino-1-cyano-benzene | STK802207 | 2-aminobenzo nitrile | DTXSID90

Storage

Room temperature

Shipped In

Normal

概要

2-Aminobenzonitrile is used for induction of nitrilase activity in Arthrobacter and as a radioprotective agent.

Specifications

同義語

2-Aminobenzonitrile | F0020-1996 | Tox21_304036 | InChI=1/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H | 2-Cyanoaniline | Ushinsunine, oxo- | 2-aminobenzenecarbonitrile | Benzonitrile, amino- | 2-amino-1-cyano-benzene | STK802207 | 2-aminobenzo nitrile | DTXSID90

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488184736

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488184736

カノニカル・スマイル

C1=CC=C(C(=C1)C#N)N

IUPAC Name

2-aminobenzonitrile

InChIKey

HLCPWBZNUKCSBN-UHFFFAOYSA-N

INCHI

1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2

異性体SMILES

C1=CC=C(C(=C1)C#N)N

WGKドイツ

2

RTECS

CB4575000

分子量

118.14

Beilstein

907187

Reaxy-Rn

907187

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=907187&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Aniline and substituted anilines Nitriles Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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

化学的性質と物理的性質

• 溶解度: Solubility in Methanol almost transparency
• 引火点（°F）: 293 °F
• 引火点（°C）: 145°C
• 沸点（°C）: 263°C
• 融点（°C）: 48-52°C
• 分子量: 118.140 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 118.053 Da
• Monoisotopic Mass: 118.053 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 133.000
• 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

よくある質問

How should this product be stored?

Store at room temperature.

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 is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1885-29-6, the molecular formula is C7H6N2, and the molecular weight is 118.14 g/mol. InChIKey HLCPWBZNUKCSBN-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.