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| CAS No.: | 3019-71-4 |
|---|---|
| Name: | Trichloroacetyl isocyanate |
| Article Data: | 16 |
| Molecular Structure: | |
|
|
|
| Formula: | C3Cl3 N O2 |
| Molecular Weight: | 188.397 |
| Synonyms: | Aceticacid, trichloro-, anhydride with isocyanic acid (7CI,8CI); Acetyl isocyanate,trichloro- (9CI); Isocyanic acid, anhydride with trichloroacetic acid (8CI);2,2,2-Trichloroacetyl isocyanate; Trichloroacetyl isocyanate |
| EINECS: | 221-165-7 |
| Density: | 1.581 |
| Melting Point: | 135-140 °C |
| Boiling Point: | 186 °C at 760 mmHg |
| Flash Point: | 65 ºC |
| Solubility: | decomposes |
| Appearance: | clear colorless to slightly yellow liquid |
| Hazard Symbols: |
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| Risk Codes: | R14;R23/24/25;R34;R42 |
| Safety: | 23-26-36/37/39-45 |
| Transport Information: | UN 2206 |
| PSA: | 46.50000 |
| LogP: | 1.21900 |
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Chemistry
Product Name: Acetyl isocyanate,2,2,2-trichloro- (CAS NO.3019-71-4)
Molecular Formula: C3Cl3NO2
Molecular Weight: 188.4g/mol
Mol File: 3019-71-4.mol
EINECS: 221-165-7
Boiling point: 80-85 °C20 mm Hg(lit.)
Storage Temperature: 2-8°C
Flash Point: 65.6 °C
Density: 1.581 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.480(lit.)
Water Solubility: Decomposition
Sensitive: Moisture Sensitive
Surface Tension: 51.1 dyne/cm
Enthalpy of Vaporization: 42.22 kJ/mol
Vapour Pressure: 0.677 mmHg at 25°C
XLogP3-AA: 2.8
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Acetyl isocyanate,2,2,2-trichloro- (CAS NO.3019-71-4):
IUPAC Name: 2,2,2-trichloroacetyl isocyanate
Canonical SMILES: C(=NC(=O)C(Cl)(Cl)Cl)=O
InChI: InChI=1S/C3Cl3NO2/c4-3(5,6)2(9)7-1-8
InChIKey: GRNOZCCBOFGDCL-UHFFFAOYSA-N
Product Categories: Organics; Isocyanates; Nitrogen Compounds; Organic Building Blocks
Safety Profile
Safety Information of Acetyl isocyanate,2,2,2-trichloro- (CAS NO.3019-71-4):
Hazard Codes: T
Risk Statements: 14-23/24-34-42-23/24/25-36/37/38
14: Reacts violently with water
23: Toxic by inhalation
24: Toxic in contact with skin
25: Toxic if swallowed
26: Very Toxic by inhalation
34: Causes burns
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
42: May cause sensitization by inhalation
Safety Statements: 23-26-36/37/39-45-8-7/9
7: Keep container tightly closed
8: Keep container dry
9: Keep container in a well-ventilated place
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR : UN 2206 6.1/PG 3
WGK Germany: 3
F: 10-19
HazardClass: 6.1
PackingGroup: II
Specification
Acetyl isocyanate,2,2,2-trichloro- , its CAS NO. is 3019-71-4, the synonyms are EINECS 221-165-7 ; Acetyl isocyanate, trichloro- ; Trichloroacetyl isocyanate .