3-Bromoacetanilide - ≥98% , CAS No.621-38-5

CAS: 621-38-5 Cat. No.: B185612 分子式: C₈H₈BrNO 分子量: 214.06 EC番号: 962-073-3

GRADE & PURITY ≥98%

Synonyms

AKOS000189095 | NSC408071 | N-(3-bromophenyl)acetamide | N-(3-Bromo-phenyl)-acetamide | STK792360 | SCHEMBL264735 | EN300-78587 | SR-01000514439 | Acetamide, N-(3-bromophenyl)- (9CI) | m-Bromoacetanilide | NSC 408071 | Z27788933 | EU-0051412 | SY040877 |

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

同義語

AKOS000189095 | NSC408071 | N-(3-bromophenyl)acetamide | N-(3-Bromo-phenyl)-acetamide | STK792360 | SCHEMBL264735 | EN300-78587 | SR-01000514439 | Acetamide, N-(3-bromophenyl)- (9CI) | m-Bromoacetanilide | NSC 408071 | Z27788933 | EU-0051412 | SY040877 |

仕様と純度

≥98%

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

528758932

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528758932

カノニカル・スマイル

CC(=O)NC1=CC(=CC=C1)Br

IUPAC Name

N-(3-bromophenyl)acetamide

InChIKey

XXHOHJTVFUJJMT-UHFFFAOYSA-N

INCHI

1S/C8H8BrNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)

異性体SMILES

CC(=O)NC1=CC(=CC=C1)Br

分子量

214.06

Reaxy-Rn

2086784

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2086784&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Acetanilides
          • Level6 Haloacetanilides
            • Level7 M-haloacetanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Acetanilides - Haloacetanilides
• Direct Parent: M-haloacetanilides
• Alternative Parents: N-acetylarylamines Bromobenzenes Aryl bromides Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-haloacetanilide - N-acetylarylamine - N-arylamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as m-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn meta-substituted with a halogen atom.
• 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

• 感度: light sensitive
• 分子量: 214.060 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 212.979 Da
• Monoisotopic Mass: 212.979 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• 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