2-Amino-3-bromophenol - ≥97% , CAS No.116435-77-9

CAS: 116435-77-9 Cat. No.: A166175 分子式: C₆H₆BrNO 分子量: 188.02 EC番号: 808-390-1

GRADE & PURITY ≥97%

Synonyms

AKOS005259732 | PS-6259 | SB30959 | 2-Amino-3-bromophenol | 2-amino-3-bromo-phenol | JBNSVEGZVHJLMS-UHFFFAOYSA-N | SY060787 | MFCD08445676 | SCHEMBL103567 | DTXSID40617131 | FT-0647693 | Phenol, 2-amino-3-bromo- | A1-00228 | 2-Amino-3-bromo-phenol, Aldric

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AKOS005259732 | PS-6259 | SB30959 | 2-Amino-3-bromophenol | 2-amino-3-bromo-phenol | JBNSVEGZVHJLMS-UHFFFAOYSA-N | SY060787 | MFCD08445676 | SCHEMBL103567 | DTXSID40617131 | FT-0647693 | Phenol, 2-amino-3-bromo- | A1-00228 | 2-Amino-3-bromo-phenol, Aldric

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488199902

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488199902

カノニカル・スマイル

C1=CC(=C(C(=C1)Br)N)O

IUPAC Name

2-amino-3-bromophenol

InChIKey

JBNSVEGZVHJLMS-UHFFFAOYSA-N

INCHI

1S/C6H6BrNO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,8H2

異性体SMILES

C1=CC(=C(C(=C1)Br)N)O

分子量

188.02

Reaxy-Rn

2716590

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2716590&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-bromoanilines
• Alternative Parents: o-Aminophenols M-bromophenols Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Primary amines Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - O-aminophenol - 2-bromoaniline - 3-halophenol - 3-bromophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Phenol - Halobenzene - Aryl bromide - Aryl halide - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 2-bromoanilines. These are organic compounds that contain an aniline carrying a bromine atom at the C2-position.
• 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

• 分子量: 188.020 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 186.963 Da
• Monoisotopic Mass: 186.963 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 116435-77-9, the molecular formula is C6H6BrNO, and the molecular weight is 188.02 g/mol. InChIKey JBNSVEGZVHJLMS-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.