Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Nitrophenyl isothiocyanate |
EINECS | N/A |
CAS No. | 3529-82-6 | Density | 1.33g/cm3 |
PSA | 90.27000 | LogP | 2.85230 |
Solubility | 50.45mg/L(25 oC) | Melting Point |
57-60 °C(lit.) |
Formula | C7H4 N2 O2 S | Boiling Point | 317.8°Cat760mmHg |
Molecular Weight | 180.187 | Flash Point | 146°C |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by intravenous route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also THIOCYANATES. | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | ||
Synonyms |
Isothiocyanicacid, m-nitrophenyl ester (7CI,8CI); 3-Nitrophenyl isothiocyanate;m-Nitrophenyl isothiocyanate |
Article Data | 33 |
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:
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, |
Reported in EPA TSCA Inventory.
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:
C
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
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- .