CAS 98-56-6|4-Chlorobenzotrifluoride
Introduction：Basic information about CAS 98-56-6|4-Chlorobenzotrifluoride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Chlorobenzotrifluoride | ||
|---|---|---|---|
| CAS Number | 98-56-6 | Molecular Weight | 180.555 |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 138.5±0.0 °C at 760 mmHg |
| Molecular Formula | C7H4ClF3 | Melting Point | -36 °C |
| MSDS | ChineseUSA | Flash Point | 47.2±0.0 °C |
| Symbol | GHS02, GHS07, GHS09 | Signal Word | Warning |
Names
| Name | 4-Chlorobenzotrifluoride |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 138.5±0.0 °C at 760 mmHg |
| Melting Point | -36 °C |
| Molecular Formula | C7H4ClF3 |
| Molecular Weight | 180.555 |
| Flash Point | 47.2±0.0 °C |
| Exact Mass | 179.995361 |
| LogP | 3.46 |
| Vapour Pressure | 8.3±0.2 mmHg at 25°C |
| Index of Refraction | 1.448 |
| InChIKey | QULYNCCPRWKEMF-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1ccc(Cl)cc1 |
| Stability | Stable, but heat and light sensitive. Reacts vigorously with oxidizing agents. Flammable. Incompatible with sodium dimethyl sulfonate, strong bases. |
| Water Solubility | 29 ppm (23 ºC) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 13 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 22 gm/m3
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 11500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 20 gm/m3
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5600 mg/kg/14D-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 28 gm/kg/28D-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 440 mg/m3/24H/17W-C
- TOXIC EFFECTS :
- Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood - changes in erythrocyte (RBC) count Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 500 ppm/6H/4W-I
- TOXIC EFFECTS :
- Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Nutritional and Gross Metabolic - changes in calcium Biochemical - Metabolism (Intermediary) - other proteins
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 14 gm/kg/14D-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Metabolism (Intermediary) - lipids including transport
MUTATION DATA - TYPE OF TEST :
- Unscheduled DNA synthesis
- TEST SYSTEM :
- Human Embryo
- DOSE/DURATION :
- 1 gm/L
- REFERENCE :
- AISSAW Annali dell'Istituto Superiore di Sanita. (Istituto Poligrafico e Zecca dello Stato, Piazza Verdi, 10 Rome, Italy) V.1- 1965- Volume(issue)/page/year: 18,123,1982 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 20 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84021 No. of Facilities: 5 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 20 (estimated)
- TYPE OF TEST :
- Unscheduled DNA synthesis
- TEST SYSTEM :
- Human Embryo
- DOSE/DURATION :
- 1 gm/L
- REFERENCE :
- AISSAW Annali dell'Istituto Superiore di Sanita. (Istituto Poligrafico e Zecca dello Stato, Piazza Verdi, 10 Rome, Italy) V.1- 1965- Volume(issue)/page/year: 18,123,1982 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 20 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84021 No. of Facilities: 5 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 20 (estimated)
Safety Information
| Symbol | GHS02, GHS07, GHS09 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226-H317-H411 |
| Precautionary Statements | P210-P273-P280-P333 + P313-P391-P403 + P235 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R10;R36/37/38 |
| Safety Phrases | S26-S36-S24/25-S16 |
| RIDADR | UN 2234 3/PG 3 |
| WGK Germany | 2 |
| RTECS | XS9145000 |
| Packaging Group | III |
| Hazard Class | 3 |
| HS Code | 29036990 |
Customs
| HS Code | 2903999090 |
|---|---|
| Summary | 2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
Articles10
More Articles| Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs. Eur. J. Med. Chem. 43 , 478-85, (2008) Values of in vitro gas to lung partition coefficients, K(lung), of VOCs have been collected from the literature. For 44 VOCs, application of the Abraham solvation equation to log K(lung) yielded a cor... | |
| In vitro mutational studies with trifluralin and trifluorotoluene derivatives. Ann. Ist. Super. Sanita 18(1) , 123-6, (1982) | |
| Application of molecular encapsulation for toxicology studies: comparative toxicity of p-Chloro-alpha, alpha, alpha-trifluorotoluene in alpha-cyclodextrin vehicle versus corn oil vehicle in male and female Fischer 344 rats and B6C3F1 mice. Fundam. Appl. Toxicol. 18 , 460-70, (1992) The application of alpha-cyclodextrin (alpha-CD) as an alternative vehicle for water insoluble and volatile chemicals was investigated in toxicity studies of p-chloro-alpha, alpha, alpha-trifluorotolu... |
Synonyms
| Benzene, 1-chloro-4-(trifluoromethyl)- |
| Toluene, p-chloro-α,α,α-trifluoro- |
| MFCD00000627 |
| 4-Chloro-α,α,α-trifluorotoluene |
| EINECS 202-681-1 |
| PCBTF |
| GR DXFFF |
| 4-Chlorobenzotrifluo |
| P-CHLOROBENOTRIFLUORIDE |
| p-Chloro-α,α,α-trifluorotoluene |
| p-chlorotrifluoromethylbenzene |
| 1-Chloro-4-(trifluoromethyl)benzene |
| Parachlorobenzotrifluoride |
| p-Chlorbenzotrifluorid |
| 4-Chlorobenzotrifluoride |
| 4-chloro-trifluoromethylbenzene |
| 4-Trifluoromethylchlorobenzene |
| p-Chlorobenzotrifluoride |
| p-trifluoromethylchlorobenzene |
| Oxsol 100 |
| 4-Chlorobenzotrifuoride |
| 4-Chlorobezotrifluoride |
