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

CAS: 1985-12-2 Cat. No.: B140608 Formula: C₇H₄BrNS Peso molecolare: 214.08 Beilstein Registry Number: 878549 Numero EC: 628-470-8

QUALITÀ & PUREZZA ≥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

Panoramica

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.

Specifiche

Sinonimi

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

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

508813497

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

RTECS

NX8400000

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture Sensitive
• Punto di infiammabilità (°F): >230°F
• Punto di infiammabilità (°C): >110℃
• Punto di ebollizione (°C): 144-145℃/5mmHg
• Punto di fusione (°C): 58-62℃
• Peso molecolare: 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