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Substance Name: Trichloroacetonitrile
RN: 545-06-2
UNII: 6397DL8869
InChIKey: DRUIESSIVFYOMK-UHFFFAOYSA-N
Note
- Radical trapping agent.
Molecular Formula
- C2-Cl3-N
Molecular Weight
- 144.388
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Agricultural Chemical
- Fungicide, Bactericide, Wood Preservative
- Insecticide
- Mutation Data
- Reproductive Effect
- Skin / Eye Irritant
- Tumor Data
Superlist Classification Code
- Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms
Name of Substance
- Trichloroacetonitrile
Synonyms
- 4-02-00-00524 (Beilstein Handbook Reference)
- AI3-28759
- BRN 0605572
- CCRIS 2671
- Cyanotrichloromethane
- EINECS 208-885-7
- HSDB 7618
- Nitrile trichloracetique
- Nitrile trichloracetique [French]
- NSC 66405
- Trichlor-acetonitril
- Trichlor-acetonitril [German]
- Trichlormethylkyanid
- Trichlormethylkyanid [Czech]
- Trichloroacetonitrile
- Trichloroethanenitrile
- Trichloromethyl cyanide
- Trichloromethylnitrile
- Trichlouracetonitril
- Trichlouracetonitril [Dutch]
- Tritox
- UNII-6397DL8869
Systematic Names
- Acetonitrile, 2,2,2-trichloro-
- Acetonitrile, trichloro-
- Trichloroacetonitrile
Superlist Name
- Trichloroacetonitrile
Registry Numbers
CAS Registry Number
- 545-06-2
FDA UNII
- 6397DL8869
System Generated Number
- 0000545062
Structure Descriptors
InChI
InChI=1S/C2Cl3N/c3-2(4,5)1-6InChIKey
DRUIESSIVFYOMK-UHFFFAOYSA-NSmiles
ClC(Cl)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LCLo | inhalation | 311ppm/5H (311ppm) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 235, 1949. |
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06416, | |
| rabbit | LCLo | inhalation | 311ppm/5H (311ppm) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 235, 1949. |
| rabbit | LD50 | skin | 900uL/kg (0.9mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| rat | LCLo | inhalation | 250ppm/4H (250ppm) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| rat | LD50 | oral | 250mg/kg (250mg/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -4.20E+01 | deg C | EXP | |
| Boiling Point | 85.7 | deg C | EXP | |
| log P (octanol-water) | 2.09 | (none) | EXP | |
| Water Solubility | 715 | mg/L | 25 | EST |
| Vapor Pressure | 74.1 | mm Hg | 25 | EXP |
| Henry's Law Constant | 1.34E-06 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 0.0 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.