(3-Bromo-2-fluorophenyl)methanamine - ≥97% , CAS No.261723-28-8

CAS: 261723-28-8 Cat. No.: B192392 Formule: C₇H₇BrFN Poids moléculaire: 204.04 Numéro CE: 867-497-1

QUALITÉ & PURETÉ ≥97%

Synonyms

[(3-Bromo-2-fluorophenyl)methyl]amine | A25550 | N13145 | AKOS015920367 | (3-bromo-2-fluorophenyl)methanamine | FT-0728958 | A1-30127 | SB78556 | SY112768 | EN300-864975 | DS-14116 | Benzenemethanamine, 3-bromo-2-fluoro- | MFCD13194194 | DTXSID20949043 |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Spécifications

Synonymes

[(3-Bromo-2-fluorophenyl)methyl]amine | A25550 | N13145 | AKOS015920367 | (3-bromo-2-fluorophenyl)methanamine | FT-0728958 | A1-30127 | SB78556 | SY112768 | EN300-864975 | DS-14116 | Benzenemethanamine, 3-bromo-2-fluoro- | MFCD13194194 | DTXSID20949043 |

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

528756413

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528756413

Sourires canoniques

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

IUPAC Name

(3-bromo-2-fluorophenyl)methanamine

InChIKey

BAFXXIVSWGQMMI-UHFFFAOYSA-N

INCHI

1S/C7H7BrFN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H2

Isomères SMILES

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

Poids moléculaire

204.04

Reaxy-Rn

19346703

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19346703&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 Fluorobenzenes Bromobenzenes Aralkylamines Aryl fluorides Aryl bromides Organofluorides Organobromides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Amine - Primary aliphatic amine - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 204.040 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 202.975 Da
• Monoisotopic Mass: 202.975 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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