3-BROMOPHENYL ISOTHIOCYANATE

Molecular Structure of 3-Bromophenyl isothiocyanate (CAS NO.2131-59-1):

IUPAC Name: 1-bromo-3-isothiocyanatobenzene 
Empirical Formula: C₇H₄BrNS
Molecular Weight: 214.0824
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 44.45Ų
Index of Refraction: 1.622
Molar Refractivity: 50.18 cm³
Molar Volume: 142.4 cm³
Polarizability: 19.89 10-24cm³
Surface Tension: 41.6 dyne/cm
Density: 1.5 g/cm³
Flash Point: 128.9 °C
Enthalpy of Vaporization: 47.36 kJ/mol
Boiling Point: 256 °C at 760 mmHg
Vapour Pressure: 0.0253 mmHg at 25°C
Sensitive: Moisture Sensitive
BRN: 2081173
EINECS: 210-753-9
Product Categories: Organic Building Blocks; Sulfur Compounds; Thiocyanates/Isothiocyanates
InChI
InChI=1/C7H4BrNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
Smiles
c1(cc(ccc1)Br)N=C=S

Hazard Codes: Xn,C
Risk Statements: 36/37/38-20/21/22-42
R36/37/38:Irritating to eyes, respiratory system and skin. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R42:May cause sensitization by inhalation.
Safety Statements: 36/37/39-26-45-36/37-22
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37:Wear suitable protective clothing and gloves. 
S22:Do not breathe dust.
RIDADR: 2810
RTECS: NX8350000
HazardClass: 6.1
PackingGroup: III

  3-Bromophenyl isothiocyanate , with CAS number of 2131-59-1, can be called 1-bromo-3-isothiocyanato-benzen ; 1-bromo-3-isothiocyanatobenzene ; benzene, 1-bromo-3-isothiocyanato- ; isothiocyanic acid, m-bromophenyl ester ; isothiocyanicacid,m-bromophenylester ; 3-bromophenyl isothiocyanate ; m-bromophenyl isothiocyanate ; isothiocyanic acid 3-bromophenyl ester . It is a yellow liquid after melting.