Hexafluoroacetone trihydrate
Names
[ CAS No. ]:
34202-69-2
[ Name ]:
Hexafluoroacetone trihydrate
[Synonym ]:
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
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.)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UC2700000
- CHEMICAL NAME :
- 2-Propanone, hexafluoro-, trihydrate
- CAS REGISTRY NUMBER :
- 34202-69-2
- LAST UPDATED :
- 199504
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C3-F6-O.3H2-O
- MOLECULAR WEIGHT :
- 220.09
- WISWESSER LINE NOTATION :
- FXFFXQQXFFF &QH 2
HEALTH HAZARD DATA
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%
Articles
Org. Lett. 15(1) , 208-11, (2013)
A powerful, new reagent, an amidinate salt of hexafluoroacetone hydrate, is an air-stable salt that can be used for the preparation of fluorinated organic molecules. Nucleophilic trifluoromethylation ...
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...