Hexafluoroacetone trihydrate 三水六氟丙酮

CAS 34202-69-2 MFCD00149061

化学结构图

34202-69-2
SMILES: O.O.O.O=C(C(F)(F)F)C(F)(F)F

化学属性

Mol. FormulaC3F6O·xH2O
Mol. Weight166.02(as Anhydrous)
Melting Point18-21 °C(lit.)
Refractive indexn20/D 1.319(lit.)
Density1.579 g/mL at 25 °C(lit.)
TSCAYes
Boiling Point105-106°C
Vapor Pressure87.5 psi ( 21 °C)
Appearance colorless liq.

别名和识别编码

Chemical NameHexafluoroacetone trihydrate
CAS Number34202-69-2
Alfabeta NameHEXAFLUOROACETONETRIHYDRATE
MDL NumberMFCD00149061
Synonym 六氟-2-丙酮 三水合物 六氟丙酮 三水合物 GC 7787 三水六氟丙酮, 全氟丙酮三水化合物 HFA 全氟丙酮 三水合物 六氟-2-丙酮 三水合物 Hexafluoroacetone trihydrate 全氟丙酮 三水合物 Acetone, hexafluoro-, trihydrate 六氟丙酮三水化合物
PubChem Substance ID87570825
EC Number211-676-3
Beilstein Registry Number1(4)3215
Reaxys-RN607236
Merck Number4685
Chemical Name Translation三水六氟丙酮
Wiswesser Line NotationFXFFXQQXFFF &QH 2
LabNetwork Molecule IDLN00117191
InChIKeySNZAEUWCEHDROX-UHFFFAOYSA-N
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分类

  • {SNA} Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

产品应用

  • 六氟丙酮三水化合物 ( HFA·3H2O )可用于生产高质量的药品,如吸入式麻醉剂七氟烷抗和早孕药米非司酮,也可用于生产氟橡胶的高端硫化剂双酚AF,以及众多高级的含氟产品,如含氟聚酰亚胺等。

相关文献及参考

  • Beilstein:1(4)3215
  • A useful method for epoxidation of alkenes with hydrogen peroxide in the presence of a catalytic amount (ca 1-5 mol%) of hexafluoroacetone trihydrate has been reported by R. A. Sheldon. In chloroform or DCM, reaction is relatively slow and yields moderate; with 1,1,1,3,3,3-Hexafluoro-2-propanol, A12747, as reaction medium, excellent yields of epoxides are obtained after a few hours at room temperature: Synlett, 1305 (2001).
  • A useful method for epoxidation of alkenes with hydrogen peroxide in the presence of a catalytic amount (ca 1-5 mol%) of hexafluoroacetone trihydrate has been reported by R. A. Sheldon. In chloroform or DCM, reaction is relatively slow and yields moderate; with 1,1,1,3,3,3-Hexafluoro-2-propanol, A12747, as reaction medium, excellent yields of epoxides are obtained after a few hours at room temperature: Synlett, 1305 (2001).

安全信息

Warnings IRRITANT-HARMFUL, TOXIC
GHS Symbol
WGK Germany3
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H301+H331
  • H310 Fatal in contact with skin 皮肤接触致命
  • H301 Toxic if swallowed 吞食有毒
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes T
RTECSUC2700000
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P332+P313
  • P302+P350
  • P337+P313
  • P308+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P301+P310
  • P305+P351+P338
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P302+P352+P310+P361+P364
Signal word Danger {} {} {} {} {} {TCI}
UN Number UN2552 2552
Risk Statements
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R34 Causes burns 会导致灼伤
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服;
  • S20 When using do not eat or drink 使用时,不得进食,饮水;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S4 Keep away from living quarters 远离生活区;
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
Packing GroupII
Hazard Class6.1
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

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            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
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
SPECIES OBSERVED        : Rodent - rat
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
SPECIES OBSERVED        : Rodent - rat
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.
   Fi

系列性分类


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