o-Tolylurea - ≥97% , CAS No.614-77-7

CAS: 614-77-7 Cat. No.: O159960 Fórmula: C₈H₁₀N₂O Peso molecular: 150.18 Beilstein Registry Number: 12(3)1867 Número CE: 210-394-8

GRADE & PURITY ≥97%

Synonyms

Urea, (2-methylphenyl)- | 2-Methylphenylurea | AR-360/41705362 | MFCD00025407 | NCIOpen2_003569 | Urea, (2-methylphenyl)- (9CI) | 1-o-tolylurea | o-Tolylurea | AI3-20153 | AKOS000159782 | (2-Methylphenyl)urea | A868702 | NSC-406061 | N-O-TOLYLUREA | o-Met

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Urea, (2-methylphenyl)- | 2-Methylphenylurea | AR-360/41705362 | MFCD00025407 | NCIOpen2_003569 | Urea, (2-methylphenyl)- (9CI) | 1-o-tolylurea | o-Tolylurea | AI3-20153 | AKOS000159782 | (2-Methylphenyl)urea | A868702 | NSC-406061 | N-O-TOLYLUREA | o-Met

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504754349

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754349

Sorrisos canónicos

CC1=CC=CC=C1NC(=O)N

IUPAC Name

(2-methylphenyl)urea

InChIKey

BLSVCHHBHKGCSQ-UHFFFAOYSA-N

INCHI

1S/C8H10N2O/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)

SMILES isoméricas

CC1=CC=CC=C1NC(=O)N

RTECS

YU4100000

Peso molecular

150.18

Beilstein

12(3)1867

Reaxy-Rn

2690754

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2690754&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Toluenes Ureas Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Toluene - Urea - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 192 °C
• Peso molecular: 150.180 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 150.079 Da
• Monoisotopic Mass: 150.079 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 147.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 614-77-7, the molecular formula is C8H10N2O, and the molecular weight is 150.18 g/mol. InChIKey BLSVCHHBHKGCSQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.