2-Bromoaniline - ≥97% , CAS No.615-36-1

CAS: 615-36-1 Cat. No.: B108449 Formula: C₆H₆BrN Peso molecolare: 172.03 Beilstein Registry Number: 742062 Numero EC: 210-421-3

GRADE & PURITY ≥97%

Synonyms

AM61601 | SCHEMBL70747 | InChI=1/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H | VTP98DS78E | 2-Bromoaniline, 98% | Z104472512 | 2-bromophenylamine | 2-bromo-phenylamine | ortho-bromoaniline | NSC7086 | NSC-7086 | PS-5989 | Benzenamine, 2-bromo- | 2-bromioaniline |

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Sinonimi

AM61601 | SCHEMBL70747 | InChI=1/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H | VTP98DS78E | 2-Bromoaniline, 98% | Z104472512 | 2-bromophenylamine | 2-bromo-phenylamine | ortho-bromoaniline | NSC7086 | NSC-7086 | PS-5989 | Benzenamine, 2-bromo- | 2-bromioaniline |

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

FedEx DG Service

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488181503

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181503

Sorrisi canonici

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

IUPAC Name

2-bromoaniline

InChIKey

AOPBDRUWRLBSDB-UHFFFAOYSA-N

INCHI

1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2

Isomeri SMILES

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

WGK Germania

3

Numero UN

2811

Peso molecolare

172.03

Beilstein

742062

Reaxy-Rn

742062

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742062&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-bromoanilines
• Alternative Parents: Bromobenzenes Aryl bromides Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-bromoaniline - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Sensibilità: Air & light sensitive
• Punto di congelamento (°C): 29 °C
• Indice di rifrazione: 1.6113
• Punto di infiammabilità (°C): ＞110℃
• Punto di ebollizione (°C): 229°C
• Punto di fusione (°C): 24-28°C
• Peso molecolare: 172.020 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 170.968 Da
• Monoisotopic Mass: 170.968 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• 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

Domande frequenti

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

The CAS Number is 615-36-1, the molecular formula is C6H6BrN, and the molecular weight is 172.03 g/mol. InChIKey AOPBDRUWRLBSDB-UHFFFAOYSA-N.

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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.