2-Nitrobenzyl bromide - ≥97% , CAS No.3958-60-9

CAS: 3958-60-9 Cat. No.: N106603 Summenformel: C₇H₆BrNO₂ Molekulargewicht: 216.03 Beilstein Registry Number: 638991 EG-Nummer: 223-558-9

QUALITÄT & REINHEIT ≥97%

Synonyms

3-(Acetylamino)propanesulphonic acid | AC-25716 | Benzene, 1-(bromomethyl)-2-nitro- | CX1355 | 2-bromomethyl-nitrobenzene | FT-0613187 | 1-(Bromomethyl)-2-nitrobenzene;o-Nitrobenaylbromide | N0404 | NSC 95415 | o-Nitrobenzyl bromide | InChI=1/C7H6BrNO2/c8

Storage

Store at 2-8°C

Shipped In

Wet ice

Spezifikationen

Synonyme

3-(Acetylamino)propanesulphonic acid | AC-25716 | Benzene, 1-(bromomethyl)-2-nitro- | CX1355 | 2-bromomethyl-nitrobenzene | FT-0613187 | 1-(Bromomethyl)-2-nitrobenzene;o-Nitrobenaylbromide | N0404 | NSC 95415 | o-Nitrobenzyl bromide | InChI=1/C7H6BrNO2/c8

Spezifikationen & Reinheit

≥97%

Biochemische und physiologische Mechanismen

2-硝基溴化苄与L-半胱氨酸反应生成S-2-硝基苄基半胱氨酸，用于修饰超低温交联琼脂糖。

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

508808488

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808488

Kanonisches Lächeln

C1=CC=C(C(=C1)CBr)[N+](=O)[O-]

IUPAC Name

1-(bromomethyl)-2-nitrobenzene

InChIKey

HXBMIQJOSHZCFX-UHFFFAOYSA-N

INCHI

1S/C7H6BrNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2

Isomere SMILES

C1=CC=C(C(=C1)CBr)[N+](=O)[O-]

WGK Deutschland

3

UN-Nummer

3261

Molekulargewicht

216.03

Beilstein

638991

Reaxy-Rn

638991

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=638991&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Benzyl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Benzyl halide - Benzyl bromide - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water.
• Empfindlichkeit: Moisture sensitive
• Flammpunkt (°F): 230 °F
• Flammpunkt (°C): 110 °C
• Schmelzpunkt (°C): 44-48°C
• Molekulargewicht: 216.030 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 214.958 Da
• Monoisotopic Mass: 214.958 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 146.000
• 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