o-Bromotoluene - ≥99% , CAS No.95-46-5

CAS: 95-46-5 Cat. No.: B108526 Summenformel: C₇H₇Br Molekulargewicht: 171.03 Beilstein Registry Number: 1904176 EG-Nummer: 202-421-7

GRADE & PURITY ≥99%

Synonyms

EN300-19975 | F81553 | MLS001056299 | 2-Bromotoluene-d7 | SMR001216592 | 1-Bromo-2-methylbenzene | 1-bromo-2-methyl-benzene | CCRIS 5982 | 2-bromo-1-methylbenzene | 2-Tolyl bromide | TBG2F2VA19 | AM87480 | o-Bromotoluene | InChI=1/C7H7Br/c1-6-4-2-3-5-7(6)

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyme

EN300-19975 | F81553 | MLS001056299 | 2-Bromotoluene-d7 | SMR001216592 | 1-Bromo-2-methylbenzene | 1-bromo-2-methyl-benzene | CCRIS 5982 | 2-bromo-1-methylbenzene | 2-Tolyl bromide | TBG2F2VA19 | AM87480 | o-Bromotoluene | InChI=1/C7H7Br/c1-6-4-2-3-5-7(6)

Spezifikationen & Reinheit

≥99%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice,FedEx DG Service

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

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 504751274
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751274
• Kanonisches Lächeln: CC1=CC=CC=C1Br
• IUPAC Name: 1-bromo-2-methylbenzene
• InChIKey: QSSXJPIWXQTSIX-UHFFFAOYSA-N
• INCHI: 1S/C7H7Br/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
• Isomere SMILES: CC1=CC=CC=C1Br
• WGK Deutschland: 3
• RTECS: XS7965500
• UN-Nummer: 1760
• Verpackungsgruppe: I
• Molekulargewicht: 171.03
• Beilstein: 1904176
• Reaxy-Rn: 1904176
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904176&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Toluenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

Zugehörige Ziele (menschlich)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in alcohol, ether, acetone, and ethanol. Insoluble in water.
• Empfindlichkeit: Light and heat sensitive；Hygroscopic
• Brechungsindex: 1.555
• Flammpunkt (°F): 176 °F
• Flammpunkt (°C): 78℃
• Siedepunkt (°C): 181°C
• Schmelzpunkt (°C): -27.8°C
• Molekulargewicht: 171.030 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 169.973 Da
• Monoisotopic Mass: 169.973 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.800
• 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

Referenzen

1. Xue Li, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2020)  Covalent coupling fabrication of microporous organic network bonded capillary columns for gas chromatographic separation.  TALANTA,      [PMID:33379116] [10.1016/j.talanta.2020.121914]