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Hexafluoroacetone trihydrate 三水六氟丙酮

规格: 98%

CAS: 34202-69-2

产品编号: H57269

MDL: MFCD00149061

品牌: INFI

Chemical Name	Hexafluoroacetone trihydrate
Alfabeta Name	HEXAFLUOROACETONETRIHYDRATE
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 ID	87570825
EC Number	211-676-3
Beilstein Registry Number	1(4)3215
Reaxys-RN	607236
Merck Number	4685
Chemical Name Translation	三水六氟丙酮
Wiswesser Line Notation	FXFFXQQXFFF &QH 2
LabNetwork Molecule ID	LN00117191
InChIKey	SNZAEUWCEHDROX-UHFFFAOYSA-N
MDL Number	MFCD00149061
CAS Number	34202-69-2

GHS Symbol

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

Warnings	IRRITANT-HARMFUL, TOXIC
WGK Germany	3
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
RTECS	UC2700000
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 Group	II
Hazard Class	6.1

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。

{ALD} Beilstein:1(4)3215

{ALFA} 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).

{ALF} 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).

34202-69-2 H57269 Hexafluoroacetone trihydrate
三水六氟丙酮

化学属性

Refractive index	n20/D 1.319(lit.)
TSCA	Yes
Boiling Point	105-106°C
Vapor Pressure	87.5 psi ( 21 °C)
Mol. Formula	C3F6O·3H2O
Mol. Weight	166.02 (220.07)
Density	1.579
Appearance	colorless liq.
Melting Point	18-21°C

*以上化合物性质及应用等信息仅供参考

手性催化剂及配体

合成砌块

医药中间体

Hexafluoroacetone trihydrate 三水六氟丙酮

规格: 98%

化学属性

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