3-Chlorophenyl isocyanate - ≥98% , CAS No.2909-38-8

CAS: 2909-38-8 Cat. No.: C107899 Formula: C₇H₄ClNO Peso molecolare: 153.57 Beilstein Registry Number: 742445 Numero EC: 220-822-5

GRADE & PURITY ≥98%

Synonyms

3-chloro-1-isocyanato benzene | AKOS000119286 | 3-chloro-1-isocyanato-benzene | NSC76588 | NSC-76588 | E78077 | m-Chlorfenylisokyanat [Czech] | 3-Chlorophenylisocyanate | WLN: OCNR CG | BP-12958 | Isocyanic Acid 3-Chlorophenyl Ester | SCHEMBL58110 | EC 22

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

3-chloro-1-isocyanato benzene | AKOS000119286 | 3-chloro-1-isocyanato-benzene | NSC76588 | NSC-76588 | E78077 | m-Chlorfenylisokyanat [Czech] | 3-Chlorophenylisocyanate | WLN: OCNR CG | BP-12958 | Isocyanic Acid 3-Chlorophenyl Ester | SCHEMBL58110 | EC 22

Specifiche e purezza

≥98%

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

≥98%

Nomi e identificatori

• Pubchem Sid: 504752856
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752856
• Sorrisi canonici: C1=CC(=CC(=C1)Cl)N=C=O
• IUPAC Name: 1-chloro-3-isocyanatobenzene
• InChIKey: HHIRBXHEYVDUAM-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
• Isomeri SMILES: C1=CC(=CC(=C1)Cl)N=C=O
• WGK Germania: 2
• RTECS: NQ8560000
• Numero UN: 2206
• Peso molecolare: 153.57
• Beilstein: 742445
• Reaxy-Rn: 742445
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742445&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: Chlorobenzenes
• Alternative Parents: Aryl chlorides Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl chloride - Aryl halide - Isocyanate - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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,Heat Sensitive
• Indice di rifrazione: 1.559
• Punto di infiammabilità (°F): 179.6 °F
• Punto di infiammabilità (°C): 82 °C
• Punto di ebollizione (°C): 113-114°C
• Punto di fusione (°C): -4°C
• Peso molecolare: 153.560 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.998 Da
• Monoisotopic Mass: 152.998 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 154.000
• 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