N-Phenylcarbamic Acid Methyl Ester - ≥98% , CAS No.2603-10-3

CAS: 2603-10-3 Cat. No.: N189095 Molecular Weight: 151.16 EC Number: 220-014-2

GRADE & PURITY ≥98%

Synonyms

B3L1HPI8NJ | FT-0634390 | NSC 36208 | EN300-16865 | MFCD00027552 | Methyl phenylcarbamate | DTXSID00180674 | STK397155 | HMS1721H14 | Carbamic acid, N-phenyl-, methyl ester | methyl hydrogen phenylimidocarbonate | NSC36208 | NSC-36208 | InChI=1/C8H9NO2/c1

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

B3L1HPI8NJ | FT-0634390 | NSC 36208 | EN300-16865 | MFCD00027552 | Methyl phenylcarbamate | DTXSID00180674 | STK397155 | HMS1721H14 | Carbamic acid, N-phenyl-, methyl ester | methyl hydrogen phenylimidocarbonate | NSC36208 | NSC-36208 | InChI=1/C8H9NO2/c1

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488182391
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182391
• Canonical Smiles: COC(=O)NC1=CC=CC=C1
• IUPAC Name: methyl N-phenylcarbamate
• InChIKey: IAGUPODHENSJEZ-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
• Isomeric SMILES: COC(=O)NC1=CC=CC=C1
• Molecular Weight: 151.16
• Reaxy-Rn: 2208085
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208085&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylcarbamic acid esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylcarbamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylcarbamic acid esters
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylcarbamic acid ester - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.569
• Flash Point(°C): 66.5ºC
• Boil Point(°C): 126ºC / 10mmHg
• Melt Point(°C): 47ºC
• Molecular Weight: 151.160 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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

References

1. Junya Cao, Yi Hui, Yan Cao, Jiaqiang Chen, Zheng Zheng, Liyan Zhao, Peng He, Huiquan Li, Liguo Wang.  (2025)  Synthesis of methyl diphenylmethane dicarbamate by methyl phenylcarbamate condensation catalyzed by NKC-9: non-phosgene preparation of key precursors for diphenylmethane diisocyanate.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2025.10.026]