(R)-(-)-1-(4-Bromophenyl)Ethyl Isothiocyanate

Base Information

• Chemical Name: (R)-(-)-1-(4-Bromophenyl)Ethyl Isothiocyanate
• CAS No.: 745784-01-4
• Molecular Formula: C9H8 Br N S
• Molecular Weight: 242.14
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10426979
• Mol file: 745784-01-4.mol

Synonyms:(R)-(-)-1-(4-Bromophenyl)Ethyl Isothiocyanate;745784-01-4;1-BROMO-4-[(1R)-1-ISOTHIOCYANATOETHYL]BENZENE;(R)-(+)-1-(4-BROMOPHENYL)ETHYL ISOTHIOCYANATE;DTXSID10426979;MFCD05664119;AKOS025295707;AG-G-96609

Chemical Property of (R)-(-)-1-(4-Bromophenyl)Ethyl Isothiocyanate

Chemical Property:

• Vapor Pressure: 0.000771mmHg at 25°C
• Refractive Index: 1.596
• Boiling Point: 316.2°C at 760 mmHg
• Flash Point: 145.1°C
• PSA: 44.45000
• Density: 1.440
• LogP: 3.61290
• Sensitive.: Moisture Sensitive
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 240.95608
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

(R)-(+)-1-(4-BROMOPHENYL)ETHYL ISOTHIOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• 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: CC(C1=CC=C(C=C1)Br)N=C=S
• Isomeric SMILES: C[C@H](C1=CC=C(C=C1)Br)N=C=S