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| CAS No.: | 100-28-7 |
|---|---|
| Name: | 4-Nitrophenyl isocyanate |
| Molecular Structure: | |
|
|
|
| Formula: | C7H4N2O3 |
| Molecular Weight: | 164.12 |
| Synonyms: | Isocyanicacid, p-nitrophenyl ester (6CI,7CI,8CI);1-Isocyanato-4-nitrobenzene;1-Nitro-4-isocyanatobenzene;NSC 9800;p-Nitrophenylisocyanate; |
| EINECS: | 202-836-3 |
| Density: | 1.32 g/cm3 |
| Melting Point: | 56-59 °C(lit.) |
| Boiling Point: | 270.4 °C at 760 mmHg |
| Flash Point: | 121.2 °C |
| Solubility: | Insoluble in water. |
| Appearance: | yellow crystalline solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38-42 |
| Safety: | 22-26-36/37/39-45 |
| Transport Information: | UN 2206 |
| PSA: | 75.25000 |
| LogP: | 2.08530 |
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Chemistry
IUPAC: 1-isocyanato-4-nitrobenzene .
Molecular Formula: C7H4N2O3
Molecular Weight: 164.12g/mol
Melting Point: 56-59 oC(lit.)
Boiling Point: 137-138 oC at 11 mm Hg(lit.)
Flash Point: >110 oC
Storage temp.: 2-8 oC
Sensitive: Moisture Sensitive
Index of Refraction: 1.589
Molar Refractivity: 41.81 cm3
Molar Volume: 124 cm3
Polarizability: 16.57×10-24cm3
Surface Tension: 56.9 dyne/cm
Density: 1.32 g/cm3
Enthalpy of Vaporization: 50.86 kJ/mol
Vapour Pressure: 0.00684 mmHg at 25 oC
The synonyms of 4-Nitrophenyl isocyanate (100-28-7) are p-Nitrophenyl isocyanate ; Timtec-bb sbb006628 ; 1-Isocyanato-4-nitro-benzen ; Ai3-28253 ; Benzene,1-isocyanato-4-nitro- ; Isocyanic acid, P-Nitrophenyl ester ; Isocyanicacid,p-nitrophenylester ; Isocyanic acid 4-nitrophenyl ester .
The stucture of 4-Nitrophenyl isocyanate (100-28-7) is
.
Uses
4-Nitrophenyl isocyanate (100-28-7) is mainly used as medicine and pesticide intermediate.
Toxicity Data With Reference
| 1. | orl-rat LD50:1600 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) No. OTS0528342 . | ||
| 2. | ipr-rat LD50:100 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) No. OTS0528342 . |
Safety Profile
A poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.
Hazard Codes: .gif){kind=small}
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Risk Statements: 20/21/22-36/37/38-42
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
42: May cause sensitization by inhalation
Safety Statements: 22-26-36/37/39-45
22: Do not breathe dust
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR: 2206
WGK Germany: 3
RTECS: DA3692500
F: 10-19-21
F 10: Keep under argon.
F 19: Lachrymator.
F 21: Sensitive to humidity.
HazardClass: 6.1(b)
PackingGroup: III
Specification
4-Nitrophenyl isocyanate (100-28-7) is yellow crystalline solid.