o-Tolyl isocyanate - ≥98%(GC) , CAS No.614-68-6

CAS: 614-68-6 Cat. No.: T113759 Formula: C₈H₇NO Peso molecolare: 133.15 Beilstein Registry Number: 507985 Numero EC: 210-389-0 PubChem CID: 69194

GRADE & PURITY ≥98%(GC)

Synonyms

o-toluyl isocyanate | 2-toluene isocyanate | o-tolylisocyanate | o-tolyl-isocyanate | T0320 | FT-0612699 | ortho-Tolylisocyanate | AS-57003 | 1-Isocyanato-2-methylbenzene # | 2-methylphenylisocyanate | MFCD00002009 | o-Tolyl isocyanate, >=99% | Q26840841

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

o-toluyl isocyanate | 2-toluene isocyanate | o-tolylisocyanate | o-tolyl-isocyanate | T0320 | FT-0612699 | ortho-Tolylisocyanate | AS-57003 | 1-Isocyanato-2-methylbenzene # | 2-methylphenylisocyanate | MFCD00002009 | o-Tolyl isocyanate, >=99% | Q26840841

Specifiche e purezza

≥98%(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

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 508816675
• Sorrisi canonici: CC1=CC=CC=C1N=C=O
• IUPAC Name: 1-isocyanato-2-methylbenzene
• InChIKey: VAYMIYBJLRRIFR-UHFFFAOYSA-N
• INCHI: 1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
• Isomeri SMILES: CC1=CC=CC=C1N=C=O
• WGK Germania: 3
• RTECS: DA3678333
• PubChem CID: 69194
• Numero UN: 2206
• Peso molecolare: 133.15
• Beilstein: 507985
• Reaxy-Rn: 507985

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
• External Descriptors: toluenes - isocyanates

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
• Indice di rifrazione: 1.5335-1.5355
• Punto di infiammabilità (°F): 197.6 °F
• Punto di infiammabilità (°C): 92 °C
• Punto di ebollizione (°C): 185°C
• Peso molecolare: 133.150 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 133.053 Da
• Monoisotopic Mass: 133.053 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 149.000
• 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

Riferimenti

1. Tong-fang Jing, Da-xia Zhang, Yan Jin, Guo-dong Si, Bei-xing Li, Wei Mu, Feng Liu.  (2022)  Humic acid nature and compound structure together determine the capacity of soil to sorb Avermectin B1a and its derivatives.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.139914]

2. Yang Yong, Sun Chen, Zhou Yuming, Wang Tianhe, Zhang Yiwei.  (2016)  Optically active polyurethane based on tyrosine: synthesis, characterization and study of hydrogen bonding.  POLYMER JOURNAL,  48  (7): (807-812).  [PMID:] [10.1038/pj.2016.33]