ethyl 2-[(chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Base Information

• Chemical Name: ethyl 2-[(chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
• CAS No.: 76981-88-9
• Molecular Formula: C₁₄H₁₈ClNO₃S
• Molecular Weight: 315.821
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10392802
• Wikidata: Q82191227
• Mol file: 76981-88-9.mol

Synonyms:76981-88-9;ethyl 2-[(chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate;ethyl 2-(2-chloroacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate;ethyl 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate;ethyl 2-(2-chloroacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate;F0745-0359;DTXSID10392802;BBL008384;MFCD00782616;STK282008;AKOS000266835;VS-01899;UPCMLD0ENAT0513-7211:001;FT-0641628;EN300-45882;Z56883763;ethyl2-(2-chloroacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate;2-(2-Chloro-acetylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b] thiophene-3-carboxylic acid ethyl ester;2-(2-CHLORO-ACETYLAMINO)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER

Chemical Property of ethyl 2-[(chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 3.07E-11mmHg at 25°C
• Refractive Index: 1.588
• Boiling Point: 528.1 °C at 760 mmHg
• Flash Point: 273.2 °C
• PSA: 83.64000
• Density: 1.303 g/cm³
• LogP: 3.44400
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 315.0695923
• Heavy Atom Count: 20
• Complexity: 366

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 2-[(chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCl