4-Chloro-1-fluoro-2-isothiocyanatobenzene

Base Information

• Chemical Name: 4-Chloro-1-fluoro-2-isothiocyanatobenzene
• CAS No.: 247170-25-8
• Molecular Formula: C7H3 Cl F N S
• Molecular Weight: 187.62
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70371456
• Mol file: 247170-25-8.mol

Synonyms:247170-25-8;5-chloro-2-fluorophenyl isothiocyanate;4-chloro-1-fluoro-2-isothiocyanatobenzene;5-Chloro-2-fluorophenylisothiocyanate;SCHEMBL1021879;DTXSID70371456;MFCD01313224;AKOS009158228;PS-10297;FT-0620246;1H-1,2,3-TRIAZOLE-4-THIOLSODIUMSALT;Benzene, 4-chloro-1-fluoro-2-isothiocyanato-;4-chloranyl-1-fluoranyl-2-isothiocyanato-benzene;A817462

Chemical Property of 4-Chloro-1-fluoro-2-isothiocyanatobenzene

Chemical Property:

• Vapor Pressure: 0.0101mmHg at 25°C
• Refractive Index: 1.576
• Boiling Point: 272.6°Cat760mmHg
• Flash Point: 118.6°C
• PSA: 44.45000
• Density: 1.31g/cm³
• LogP: 3.21340
• Sensitive.: Moisture Sensitive/Lachrymatory
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 186.9658761
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

98%min ^*data from raw suppliers

5-Chloro-2-fluorophenylIsothiocyanate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,T
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)N=C=S)F