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2131-61-5

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Basic Information
CAS No.: 2131-61-5
Name: 4-NITROPHENYL ISOTHIOCYANATE
Article Data: 68
Molecular Structure:
Molecular Structure of 2131-61-5 (4-NITROPHENYL ISOTHIOCYANATE)
Formula: C7H4 N2 O2 S
Molecular Weight: 180.187
Synonyms: Isothiocyanicacid, p-nitrophenyl ester (6CI,7CI,8CI);1-Isothiocyanato-4-nitrobenzene;4-Nitrophenyl isothiocyanate;p-Nitrophenyl isothiocyanate;
EINECS: 218-359-9
Density: 1.33 g/cm3
Melting Point: 110-112 °C(lit.)
Boiling Point: 331.1 °C at 760 mmHg
Flash Point: 154.1 °C
Solubility: It hydrolyzes with water. Soluble in toluene.
Appearance: gold powder.
Hazard Symbols: HarmfulXn
Risk Codes: 36/37/38-42 20/21/22
Safety: 22-26-36 24/25 37 45 28A
PSA: 90.27000
LogP: 2.85230
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Chemistry

Molecular Structure:

Molecular Formula: C7H4N2O2S
Molecular Weight: 180.18
IUPAC Name: 1-Isothiocyanato-4-nitrobenzene
Synonyms of 4-Nitrophenyl isothiocyanate (CAS NO.2131-61-5): EINECS 218-359-9 ; 4-Nitrobenzyl thiocyanate ; Benzene, 1-isothiocyanato-4-nitro-
CAS NO: 2131-61-5
Product Categories: Organic Building Blocks ; Sulfur Compounds ; Thiocyanates/Isothiocyanates
Melting point: 110-112 °C 
Index of Refraction: 1.631
Molar Refractivity: 48.29 cm3
Molar Volume: 135.4 cm3
Surface Tension: 52 dyne/cm
Density: 1.33 g/cm3
Flash Point: 154.1 °C
Enthalpy of Vaporization: 55.1 kJ/mol
Boiling Point: 331.1 °C at 760 mmHg
Vapour Pressure: 0.000306 mmHg at 25°C

Safety Profile

Hazard Codes of 4-Nitrophenyl isothiocyanate (CAS NO.2131-61-5): HarmfulXn
Risk Statements: 36/37/38-42 
R36/37/38: Irritating to eyes, respiratory system and skin. 
R42: May cause sensitization by inhalation.
Safety Statements: 22-26-36 
S22: Do not breathe dust. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.
RIDADR: 2811
WGK Germany: 3
F: 10-21
HazardClass: 6.1(b)
PackingGroup: III