4-Bromophenyl Isothiocyanate - ≥97%(GC) , CAS No.1985-12-2

CAS: 1985-12-2 Cat. No.: B140608 Formule: C₇H₄BrNS Poids moléculaire: 214.08 Beilstein Registry Number: 878549 Numéro CE: 628-470-8

QUALITÉ & PURETÉ ≥97%(GC)

Synonyms

WLN: SCNR DE | EN300-24199 | FS-3858 | NCIOpen2_003623 | J-802132 | DTXSID30173594 | 1-isothiocyanato-4-bromobenzene | Trichofytocid | I0526 | F1915-0004 | ISOTHIOCYANIC ACID, p-BROMOPHENYL ESTER | AKOS000212188 | 4-Bromophenyl isothiocyanate, 97% | p-Bro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

4-Bromophenyl isothiocyanate was used in the synthesis of 1-(4-bromophenyl)-3-ethyl-(1,2-dideoxy-D-glycero-α-D-galacto-heptofurano)[2,1-d]imidazolidine-2-thione.

Spécifications

Synonymes

WLN: SCNR DE | EN300-24199 | FS-3858 | NCIOpen2_003623 | J-802132 | DTXSID30173594 | 1-isothiocyanato-4-bromobenzene | Trichofytocid | I0526 | F1915-0004 | ISOTHIOCYANIC ACID, p-BROMOPHENYL ESTER | AKOS000212188 | 4-Bromophenyl isothiocyanate, 97% | p-Bro

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Store at 2-8°C,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%(GC)

Noms et identifiants

Pubchem Sid

508813497

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813497

Sourires canoniques

C1=CC(=CC=C1N=C=S)Br

IUPAC Name

1-bromo-4-isothiocyanatobenzene

InChIKey

XQACWEBGSZBLRG-UHFFFAOYSA-N

INCHI

1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

Isomères SMILES

C1=CC(=CC=C1N=C=S)Br

WGK Allemagne

3

RTECS

NX8400000

Poids moléculaire

214.08

Beilstein

878549

Reaxy-Rn

878549

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878549&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture Sensitive
• Point d'éclair (°F): >230°F
• Point d'éclair (°C): >110℃
• Point d'ébullition (°C): 144-145℃/5mmHg
• Point de fusion (°C): 58-62℃
• Poids moléculaire: 214.080 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 212.925 Da
• Monoisotopic Mass: 212.925 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 10
• 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