CAS 34202-69-2|Hexafluoroacetone trihydrate
| Common Name | Hexafluoroacetone trihydrate | ||
|---|---|---|---|
| CAS Number | 34202-69-2 | Molecular Weight | 220.068 |
| Density | 1.579 g/mL at 25 °C(lit.) | Boiling Point | 106-108 °C |
| Molecular Formula | C3H6F6O4 | Melting Point | 18-21 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 105-106°C |
| Symbol | GHS05, GHS06, GHS08 | Signal Word | Danger |
Names
| Name | 1,1,1,3,3,3-hexafluoropropan-2-one,trihydrate |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.579 g/mL at 25 °C(lit.) |
|---|---|
| Boiling Point | 106-108 °C |
| Melting Point | 18-21 °C(lit.) |
| Molecular Formula | C3H6F6O4 |
| Molecular Weight | 220.068 |
| Flash Point | 105-106°C |
| Exact Mass | 220.017029 |
| PSA | 44.76000 |
| LogP | 1.48720 |
| Vapour Pressure | 87.5 psi ( 21 °C) |
| Index of Refraction | n20/D 1.319(lit.) |
| InChIKey | SNZAEUWCEHDROX-UHFFFAOYSA-N |
| SMILES | O.O.O.O=C(C(F)(F)F)C(F)(F)F |
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 :
- 190 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,592,1965
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 113 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Skin and Appendages - primary irritation (after topical exposure)
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,592,1965 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- DOSE :
- 275 mg/kg
- SEX/DURATION :
- female 6-16 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 47,35,1979
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- DOSE :
- 275 mg/kg
- SEX/DURATION :
- female 6-16 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 47,35,1979
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- DOSE :
- 55 mg/kg
- SEX/DURATION :
- female 6-16 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 47,35,1979
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- DOSE :
- 11 mg/kg
- SEX/DURATION :
- female 6-16 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - urogenital system
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 47,35,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5871 No. of Facilities: 48 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 1441 (estimated) No. of Female Employees: 432 (estimated)
Safety Information
| Symbol | GHS05, GHS06, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301 + H331-H310-H314-H361 |
| Precautionary Statements | P261-P280-P301 + P310-P302 + P350-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | T:Toxic |
| Risk Phrases | R23/24/25;R34;R63 |
| Safety Phrases | S26-S36/37/39-S45 |
| RIDADR | UN 2552 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | UC2700000 |
| Packaging Group | II |
| Hazard Class | 6.1 |
| HS Code | 2915900090 |
Customs
| HS Code | 2915900090 |
|---|---|
| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0% |
Articles28
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| Conformational landscape of N-glycosylated peptides detecting autoantibodies in multiple sclerosis, revealed by Hamiltonian replica exchange. J. Phys. Chem. B 116(18) , 5458-67, (2012) Synthetic N-glycosylated CSF114(Glc) and related peptides were proved to be able to recognize specific and high-affinity autoantibodies circulating in blood of relapsing-remitting multiple sclerosis (... | |
| Synthetic interface peptides as inactivators of multimeric enzymes: inhibitory and conformational properties of three fragments from Lactobacillus casei thymidylate synthase. Biochemistry 37(19) , 6883-93, (1998) Three synthetic peptides corresponding to distinct segments of the subunit interface of the dimeric enzyme thymidylate synthase (residues 17-38, N 22; residues 174-190, M 17; and residues 201-220, C 2... |
Synonyms
| Perfluoroacetone trihydrate |
| 2-Propanone,hexafluoro-,trihydrate |
| Hexafluoroacetone Hydrate |
| GC 7787 |
| 2-Propanone, 1,1,1,3,3,3-hexafluoro-, hydrate (1:3) |
| Hexafluoro-2-propanone trihydrate |
| Acetone,hexafluoro-,trihydrate |
| 1,1,1,3,3,3-hexafluoropropan-2-one trihydrate |
| Hexafluoro-2-propanone Hydrate |
| EINECS 211-676-3 |
| 1,1,1,3,3,3-Hexafluoroacetone trihydrate |
| MFCD00149061 |
| Hexafluoro-2-propanone |
| Hexafluoroacetone trihydrate |
