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| CAS No.: | 329-01-1 |
|---|---|
| Name: | 3-(Trifluoromethyl)phenyl isocyanate |
| Molecular Structure: | |
|
|
|
| Formula: | C8H4F3NO |
| Molecular Weight: | 187.121 |
| Synonyms: | Isocyanicacid, a,a,a-trifluoro-m-tolyl ester (6CI,7CI,8CI);1-(Trifluoromethyl)-3-[isocyanato]benzene;1-Isocyanato-3-trifluoromethylbenzene;m-(Trifluoromethyl)phenyl isocyanate;a,a,a-Trifluoro-3-tolyl isocyanate; |
| EINECS: | 206-341-3 |
| Density: | 1.257 g/cm3 |
| Melting Point: | -26 °C |
| Boiling Point: | 164.496 °C at 760 mmHg |
| Flash Point: | 60.945 °C |
| Solubility: | 5.46g/L at 25℃ |
| Appearance: | colorless to light yellow liquid |
| Hazard Symbols: |
 Xn, T, T+
|
| Risk Codes: | 20/22-37/38-42-36/37/38-26-21/22 |
| Safety: | 23-28-45-36/37/39-28A-26-36/37-22-9 |
| Transport Information: | UN 3384 6.1/PG 1 |
| PSA: | 29.43000 |
| LogP: | 2.67270 |
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Chemistry
Chemical Name: 3-(Trifluoromethyl)phenyl isocyanate
IUPAC NAME: 1-Isocyanato-3-(trifluoromethyl)benzene
CAS No.: 329-01-1
EINECS: 206-341-3
RTECS: NR0200000
Molecular Formula: C8H4F3NO
Molecular Weight: 187.12 g/mol
Melting Point: -26 °C
Density: 1.25 g/cm3
Flash Point: 60.9 °C
Boiling Point: 164.5 °C at 760 mmHg
Following is the structure of (α,α,α-Trifluoro-m-tolyl) isocyanate (329-01-1):
Product Categories about (α,α,α-Trifluoro-m-tolyl) isocyanate (329-01-1) are Phenyl isocyanate&Phenyl isothiocyanate
The chemical synonymous of (α,α,α-Trifluoro-m-tolyl) isocyanate (329-01-1) are M-(Trifluoromethyl)phenyl isocyanate ; 1-Isocyanato-3-(trifluoromethyl)-benzen ; 1-Isocyanato-3-(trifluoromethyl)benzene ; 3-Trifluoromethylphenylcyanate ; Alpha,Alpha,Alpha-Trifluoro-3-tolyl isocyanate ; Alpha,Alpha,Alpha-Trifluoro-meta-tolylisocyanate ; Benzene-1-isocyanato-3-(trifluoromethyl)-
Uses
(α,α,α-Trifluoro-m-tolyl) isocyanate (329-01-1) is mainly used as a medicine, pesticide intermediates.
Toxicity Data With Reference
| 1. | orl-rat LD50:975 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 20 (3)(1976),53. | ||
| 2. | ihl-rat LC50:3600 mg/m3 | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 20 (3)(1976),53. | ||
| 3. | orl-mus LD50:975 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 20 (3)(1976),53. | ||
| 4. | ihl-mus LC50:3300 mg/m3 | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 20 (3)(1976),53. | ||
| 5. | ipr-mus LD50:871 mg/kg | CNREA8 Cancer Research. 39 (1979),2204. | ||
| 6. | orl-gpg LD50:478 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 20 (3)(1976),53. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion, inhalation, and intraperitoneal routes. A lachrymator. Flammable liquid when exposed to heat, sparks, or flame. When heated to decomposition it emits very toxic fumes of NOx and F−. See also ISOCYANATES and FLUORIDES.
Hazard Note: Toxic/Lachrymatory/Keep Cold
Hazard Codes:
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T: Toxic .gif){kind=small}
T+: Very toxic
Risk Statements about (α,α,α-Trifluoro-m-tolyl) isocyanate (329-01-1):
R21/22 Harmful in contact with skin and if swallowed.
R26 Very toxic by inhalation.
R36/37/38 Irritating to eyes, respiratory system and skin.
R42 May cause sensitization by inhalation.
Safety Statements about (α,α,α-Trifluoro-m-tolyl) isocyanate (329-01-1):
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28A After contact with skin, wash immediately with plenty of water.
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 where possible).
Attentions:
1. Storage: Keep away from sources of ignition. Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4°C/39°F.)
2. Handling: Use spark-proof tools and explosion proof equipment. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Use only in a chemical fume hood.
Standards and Recommendations
DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD (UN 2207); DOT Class: 6.1; Label: Poison (UN 2206); DOT Class: 6.1; Label: Poison, Flammable Liquid (UN 3080); DOT Class: 3; Label: Flammable Liquid, Poison (UN 2478)