2-Bromobenzylamine - ≥98% , CAS No.3959-05-5

CAS: 3959-05-5 Cat. No.: B184269 Formula: C₇H₈BrN Peso molecolare: 186.06 Numero EC: 638-899-2

GRADE & PURITY ≥98%

Synonyms

DTXSID30318983 | 1-(2-Bromophenyl)methylamine | AC-7146 | (2-Bromophenyl)methanamine | o-bromobenzylamine | AM20060145 | CK2416 | PB42730 | PS-5697 | J-508508 | NSC338405 | NSC-338405 | EN300-35237 | FT-0611541 | (2-Bromophenyl)methanamine # | SCHEMBL1096

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

DTXSID30318983 | 1-(2-Bromophenyl)methylamine | AC-7146 | (2-Bromophenyl)methanamine | o-bromobenzylamine | AM20060145 | CK2416 | PB42730 | PS-5697 | J-508508 | NSC338405 | NSC-338405 | EN300-35237 | FT-0611541 | (2-Bromophenyl)methanamine # | SCHEMBL1096

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488189528

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189528

Sorrisi canonici

C1=CC=C(C(=C1)CN)Br

IUPAC Name

(2-bromophenyl)methanamine

InChIKey

NOYASZMZIBFFNZ-UHFFFAOYSA-N

INCHI

1S/C7H8BrN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2

Isomeri SMILES

C1=CC=C(C(=C1)CN)Br

Peso molecolare

186.06

Reaxy-Rn

2689715

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2689715&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Bromobenzenes Aralkylamines Aryl bromides Organobromides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Amine - Organohalogen compound - Primary aliphatic amine - Organobromide - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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. Soluble in Alcohol and Ether.
• Sensibilità: Air Sensitive.
• Punto di ebollizione (°C): 118-119°/9mm
• Peso molecolare: 186.050 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 184.984 Da
• Monoisotopic Mass: 184.984 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.000
• 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

Domande frequenti

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 should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 3959-05-5, the molecular formula is C7H8BrN, and the molecular weight is 186.06 g/mol. InChIKey NOYASZMZIBFFNZ-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.