(3-bromophenyl)methanamine - ≥97% , CAS No.10269-01-9

CAS: 10269-01-9 Cat. No.: B131936 Molecular Weight: 186.05 EC Number: 679-024-4

GRADE & PURITY ≥97%

Synonyms

Q27454755 | (3-bromophenyl)methyl-amine | 4JH | 3-aminomethylbromobenzene | (3-bromophenyl)methanamine | AS-17875 | M-BROMOBENZYLAMINE | N-palmitoylsphing-4-enine-1-phosphocholine | SY004245 | [(3-bromophenyl)methyl]amine | AKOS000128847 | A800600 | SCHEM

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Product Application：

3-Bromobenzylamine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agro chemicals, dyestuff.

Specifications

Synonyms

Q27454755 | (3-bromophenyl)methyl-amine | 4JH | 3-aminomethylbromobenzene | (3-bromophenyl)methanamine | AS-17875 | M-BROMOBENZYLAMINE | N-palmitoylsphing-4-enine-1-phosphocholine | SY004245 | [(3-bromophenyl)methyl]amine | AKOS000128847 | A800600 | SCHEM

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488189874
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189874
• Canonical Smiles: C1=CC(=CC(=C1)Br)CN
• IUPAC Name: (3-bromophenyl)methanamine
• InChIKey: SUYJXERPRICYRX-UHFFFAOYSA-N
• INCHI: 1S/C7H8BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
• Isomeric SMILES: C1=CC(=CC(=C1)Br)CN
• Molecular Weight: 186.05
• Reaxy-Rn: 2689601
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2689601&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Bromobenzenes Aralkylamines Aryl bromides Organopnictogen compounds Organobromides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Amine - Organobromide - Organohalogen compound - Primary aliphatic amine - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in water.
• Sensitivity: Air Sensitive;Heat sensitive
• Refractive Index: 1.59
• Flash Point(°C): 104 °C
• Boil Point(°C): 245 °C
• Molecular Weight: 186.050 g/mol
• XLogP3: 1.800
• 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