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3529-82-6

Basic Information
CAS No.: 3529-82-6
Name: 3-NITROPHENYL ISOTHIOCYANATE
Article Data: 33
Molecular Structure:
Molecular Structure of 3529-82-6 (3-NITROPHENYL ISOTHIOCYANATE)
Formula: C7H4 N2 O2 S
Molecular Weight: 180.187
Synonyms: Isothiocyanicacid, m-nitrophenyl ester (7CI,8CI); 3-Nitrophenyl isothiocyanate;m-Nitrophenyl isothiocyanate
Density: 1.33g/cm3
Melting Point: 57-60 °C(lit.)
Boiling Point: 317.8°Cat760mmHg
Flash Point: 146°C
Solubility: 50.45mg/L(25 oC)
Hazard Symbols:
Risk Codes: 34
Safety: Poison by intravenous route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also THIOCYANATES.
PSA: 90.27000
LogP: 2.85230
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  • 1-isothiocyanato-3-nitrobenzene

  • Casno:

    3529-82-6

    1-isothiocyanato-3-nitrobenzene

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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Chemistry

Product Name: Isothiocyanic acid, m-nitrophenyl ester
CAS Registry Number: 3529-82-6
IUPAC Name: 1-isothiocyanato-3-nitrobenzene
Molecular Weight: 180.18386 [g/mol]
Molecular Formula: C7H4N2O2S
XLogP3: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 3
Surface Tension: 52 dyne/cm
Density: 1.33 g/cm3
Flash Point: 146 °C 
Melting Point: 57-60 °C(lit.)
Sensitive: Moisture Sensitive
Enthalpy of Vaporization: 53.69 kJ/mol
Boiling Point: 317.8 °C at 760 mmHg
Vapour Pressure: 0.000702 mmHg at 25°C
Following is the molecular structure of Isothiocyanic acid, m-nitrophenyl ester (CAS NO.3529-82-6) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07672,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safty information about Isothiocyanic acid, m-nitrophenyl ester (CAS NO.3529-82-6) is:
Poison by intravenous route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also THIOCYANATES
Hazard Codes:
CorrosiveC
Risk Statements:
R34:Causes burns. 
Safety Statements:
S23:Do not breathe vapour. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3261 8/PG 3
WGK Germany: 3
RTECS: NX9110000
HazardClass: 6.1
PackingGroup: II

Specification

 Isothiocyanic acid, m-nitrophenyl ester , its cas register number is 3529-82-6. It also can be called 1-Isothiocyanato-3-nitrobenzene ; 3-12-00-01573 (Beilstein Handbook Reference) ; 3-Nitrophenyl isothiocyanate ; BRN 2094061 ; m-Nitrophenyl isothiocyanate ; Benzene, 1-isothiocyanato-3-nitro- .