3-Amino-5-(4-fluorophenyl)thiophene-2-carbonitrile

Base Information

• Chemical Name: 3-Amino-5-(4-fluorophenyl)thiophene-2-carbonitrile
• CAS No.: 175137-39-0
• Molecular Formula: C12H8 F N S
• Molecular Weight: 218.25
• Hs Code.: 2934999090
• European Community (EC) Number: 671-979-5
• DSSTox Substance ID: DTXSID70943339
• Wikidata: Q82920395
• Mol file: 175137-39-0.mol

Synonyms:3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile;3-Amino-2-Cyano-5-(4-Fluorophenyl)Thiophene;210356-63-1;175137-39-0;3-amino-2-cyano-5-(4-fluorophenyl)-thiophene;Maybridge1_003710;SCHEMBL4075179;HMS552A14;DTXSID70943339;PC1070Q;TYZQYMLLLAZYPN-UHFFFAOYSA-N;CCG-44782;MFCD00210132;AKOS009159310;FS-1162;CS-0206118;FT-0614930;FT-0614994;A811793;A879290;SR-01000634598-1;BRD-K04911918-001-02-6;3-Amino-2-cyano-5-(4-fluorophenyl)thiophene, AldrichCPR

Chemical Property of 3-Amino-5-(4-fluorophenyl)thiophene-2-carbonitrile

Chemical Property:

• Vapor Pressure: 0.041mmHg at 25°C
• Melting Point: 199-200oC
• Boiling Point: 247.17°C at 760 mmHg
• Flash Point: 103.285°C
• PSA: 78.05000
• Density: 1.245g/cm³
• LogP: 3.58928
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 218.03139757
• Heavy Atom Count: 15
• Complexity: 267

Purity/Quality:

98%min ^*data from raw suppliers

5-(4-FLUOROPHENYL)-3-METHYL-2-THIOPHENECARBONITRILE 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-41-37/38-22
• Safety Statements: 22-36/37/39-39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC(=C(S2)C#N)N)F