Description

Carbamic acid, N-(chlorocarbonyl)-N-(4-(trifluoromethoxy)phenyl)-, methyl ester (CAS: 173903-15-6) is a high-purity specialty chemical designed for advanced research and industrial applications. This compound, with the molecular formula C₁₀H₇ClF₃NO₄, is a versatile reagent used in organic synthesis, pharmaceutical development, and agrochemical research. Its unique trifluoromethoxy and chlorocarbonyl functional groups make it an essential intermediate for constructing complex molecules with potential biological activity. Our product is rigorously tested to ensure >98% purity (HPLC/GC), with comprehensive analytical data (NMR, MS) provided for quality assurance. Packaged under inert gas in amber glass vials to ensure stability, this compound is ideal for researchers requiring precise and reliable building blocks for their synthetic workflows.

Properties

• CAS Number: 173903-15-6
• Complexity: 342
• IUPAC Name: methyl N-chlorocarbonyl-N-[4-(trifluoromethoxy)phenyl]carbamate
• InChI: InChI=1S/C10H7ClF3NO4/c1-18-9(17)15(8(11)16)6-2-4-7(5-3-6)19-10(12,13)14/h2-5H,1H3
• InChI Key: XMTCQQIMRUZNCL-UHFFFAOYSA-N
• Exact Mass: 297.0015699
• Molecular Formula: C10H7ClF3NO4
• Molecular Weight: 297.61
• SMILES: COC(=O)N(C1=CC=C(C=C1)OC(F)(F)F)C(=O)Cl
• Topological: 55.8
• Monoisotopic Mass: 297.0015699
• Synonyms: 173903-15-6, Carbamic acid, N-(chlorocarbonyl)-N-[4-(trifluoromethoxy)phenyl]-, methyl ester, Carbamic acid, (chlorocarbonyl)(4-(trifluoromethoxy)phenyl)-, methyl ester, Methyl N-(chlorocarbonyl)-N-(4-(trifluoromethoxy)phenyl)carbamate, Carbamic acid, N-(chlorocarbonyl)-N-(4-(trifluoromethoxy)phenyl)-, methyl ester, Carbamic acid, (chlorocarbonyl)[4-(trifluoromethoxy)phenyl]-, methyl ester, METHYL N-(CHLOROCARBONYL)-N-[4-(TRIFLUOROMETHOXY)PHENYL]CARBAMATE, 605-700-5, methyl N-carbonochloridoyl-N-[4-(trifluoromethoxy)phenyl]carbamate, [4-(Trifluoromethoxy)phenyl]-N-(chlorocarbonyl)carbamic acid methyl ester, methyl(chlorocarbonyl)[4-(trifluoromethoxy)phenyl]carbamate, [4-(trifluoromethoxy)phenyl]-N-(chlorocarbonyl)carbamicacidmethylester, SCHEMBL6381825, DTXSID9051793, methyl chlorocarbonyl 4-(trifluoromethoxy)phenylcarbamate, ZB1787, N-(METHOXYCARBONYL)-N-[4-(TRIFLUOROMETHOXY)PHENYL]CARBAMOYL CHLORIDE, NS00025711, F87176, EN300-7479939, methyl (chlorocarbonyl)[4-(trifluoromethoxy)phenyl]carbamate

This compound serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of enzyme inhibitors and receptor modulators. Its reactive chlorocarbonyl group enables efficient peptide coupling and carbamate formation. Researchers also utilize it in agrochemical studies for designing novel pesticides and herbicides. The trifluoromethoxy moiety enhances lipophilicity, making it valuable for medicinal chemistry applications targeting CNS disorders.

Safety and Hazards

GHS Hazard Statements

• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501

Hazard Classes and Categories

• Skin Sens. 1 (100%)
• Eye Dam. 1 (100%)
• Aquatic Chronic 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.