Related Searches: ethyl 4,4,4-trifluoroacetoacetate, ethyl trifluoroacetoacetate, ethyl hydroxy ethyl cellulose, methyl ethyl, ethyl acid, View all

ethyl 4,4,4-trifluoroacetoacetate(CAS No. 372-31-6)

ethyl 4,4,4-trifluoroacetoacetate C6H7F3O3 (cas 372-31-6) Molecular Structure

372-31-6 Structure

Identification and Related Records

【Name】
ethyl 4,4,4-trifluoroacetoacetate
【CAS Registry number】
372-31-6
【Synonyms】
Ethyl 3-oxo-4,4,4-trifluoroacetoacetate
4,4,4-Trifluoroacetoacetic acid ethyl ester
Ethyl 4,4,4-trifluoro-3-oxobutanoate
Trifluoro acetoacetic acid ethyl ester
【EINECS(EC#)】
206-750-7
【Molecular Formula】
C6H7F3O3 (Products with the same molecular formula)
【Molecular Weight】
184.11
【Inchi】
InChI=1/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
【InChIKey】
OCJKUQIPRNZDTK-UHFFFAOYSA-N
【Canonical SMILES】
CCOC(=O)CC(=O)C(F)(F)F
【MOL File】
372-31-6.mol

Chemical and Physical Properties

【Appearance】
Clear liquid
【Density】
1.259
【Melting Point】
-39℃
【Boiling Point】
131℃ (709 mmHg)
【Refractive Index】
1.375-1.378
【Flash Point】
28℃
【Water】
10 g/L (20℃)
【Solubilities】
10 g/L (20 oC) in water
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29183000
【Storage temp】
Flammables area
【Computed Properties】
Molecular Weight:184.11319 [g/mol]
Molecular Formula:C6H7F3O3
XLogP3:1.4
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:4
Tautomer Count:3
Exact Mass:184.034729
MonoIsotopic Mass:184.034729
Topological Polar Surface Area:43.4
Heavy Atom Count:12
Formal Charge:0
Complexity:185
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:77

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R10;R22
【Safety Statements 】
S16
【HazardClass】
3
【Hazard Note】

Flammable/Corrosive

【Safety】

Safety Information of Ethyl 4,4,4-trifluoroacetoacetate (CAS NO.372-31-6):
Hazard Codes:?HarmfulXnFlammableFCorrosiveC,IrritantXi
Risk Statements: 10-22-52/53?
R10:Flammable.?
R22:Harmful if swallowed.?
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 61-16?
S16:Keep away from sources of ignition.?
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3272 3/PG 3
WGK Germany: 2
Hazard Note: Flammable/Corrosive
TSCA: T
HazardClass: 3
PackingGroup: III

【PackingGroup 】
III
【Transport】
UN 3272
【Specification】

?Ethyl 4,4,4-trifluoroacetoacetate (CAS NO.372-31-6), its Synonyms are Ethyl trifluoroacetoacetate ; Ethyl (trifluoroacetyl)acetate ; Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester ; Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester .

Use and Manufacturing

【Usage】

Intermediate for agro chemicals and pharmaceuticals (mefloquine). Product Data Sheet

Supplier Location

Top Suppliers

Diamond member Wuhan Fortuna Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-27-59207850
Diamond member Hubei XinRunde Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-83214668
Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member Nanjing Chemlin Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-83697070
Diamond member Jinlan Pharm-Drugs Technology Co., Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-85829152
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Shanghai Forever Synthesis Co.,Ltd.
Country:ChinaChina
Business Type:Distributor/Wholesaler
Telephone:86-21-61124658
Nanjing Bangnuo Biotechnology Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-52113793
Ningbo Huajia Chemical Company Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-574-87065746

Quick Search

Cas    Name

Related products

4-Heptanol, 4-ethyl-

1-Ethyl-1-propyl-1-butanol;1-Ethyl-1-propylbutanol; 4-Ethylheptan-4-ol; NSC 174073

4-Ethyl-4-methylpiperidine

piperidine, 4-ethyl-4-methyl-;

4'-Ethyl-4-biphenylamine

DCTD; 3,4-Dichloro-1,2,5-Triadiazole; 4ETHYL4AMINOBIPHENYL; 3,4-Dichlor-1,2,5-thiadiazol; 3,4-DICHLORO-1,2,5-THIADIAZOLE 99+%; 4,5-Dichloro-2,1,3-thia...

4-Ethyl-4'-ethynylbiphenyl

4-Ethyl-4'-ethynyl-1,1'-biphenyl

4-ethyl-4-formyloctanenitrile

4-Ethyl-4-formyloctanenitrile;octanenitrile, 4-ethyl-4-formyl-

4-ETHYL-4'-METHOXYBENZOPHENONE

4-ETHYL-4'-METHOXYBENZOPHENONE;OTAVA-BB 1044043

4-ethyl-4-methylheptane

4-Ethyl-4-methylheptane;heptane, 4-ethyl-4-methyl-

4-Ethyl-4-piperidinaMine

4-Ethyl-4-piperidinaMine

4-ETHYL-4-HEXADECYL MORPHOLINIUM ETHYL SULFATE

4-ethyl-4-hexadecylmorpholinium ethyl sulphate;CETETHYL MORPHOLINIUM ETHOSULFATE;Cetethyl morpholinium;CETETHYLMORPHOLINIUMETHOSULPHATE;4-ethyl-4-hexa...