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N,N-Diethyl-2,2,2-trifluoroacetamide

HCID 225443
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
360-92-9
Standard SMILES
CCN(CC)C(=O)C(F)(F)F
InChIKey
CODXZFSZJFCVBE-UHFFFAOYSA-N
Molecular formula
C6H10F3NO
Average molar mass
169.14 g/mol
Monoisotopic mass
169.0714486

Names & identifiers

Preferred name
N,N-Diethyl-2,2,2-trifluoroacetamide
IUPAC
N,N-diethyl-2,2,2-trifluoroacetamide
English name
N,N-Diethyl-2,2,2-trifluoroacetamide
Molecular formula
C6H10F3NO
Molecular weight
169.14

Names & synonyms

N,N-Diethyl-2,2,2-trifluoroacetamideDTXSID80279959RefChem:822248DTXCID80231113628-313-3360-92-9N,N-DiethyltrifluoroacetamideMFCD00192034N,N-Diethyltrifluoroacetamide; NSC 14815; Trifluoroacetyl DiethylamineACETAMIDE, N,N-DIETHYL-2,2,2-TRIFLUORO-NSC14815diethyl trifluoroacetamide
Show more names
N,N-Diethyl-2,2,2-trifluoroacetamide 99%N,N-DIETHYL-2,2,2-TRIFLUOROACETAMIDE, 99 %
N,N-diethyltrifluoro-acetamideSCHEMBL249531BBL104174NSC-14815SBB088254STL557988AKOS005254462AB04639

Database identifiers

CAS
360-92-9
PubChem CID
225443
DTXSID
DTXSID80279959
EC Number
628-313-3
Nikkaji
J600.076B

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
139

Physicochemical properties

Boiling point
65 · 65-67 °C24 mm Hg(lit.)
Density
1.2 g/mL · 1.2 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.38(lit.)
Flash point
110 °F · 110 °F
storage temp.
Store at room temperature
pka
-1 · -1+-.0.70(Predicted)
form
clear liquid
color
Colorless to Light yellow to Light orange
Specific Gravity
1.2 · 1.200
CAS DataBase Reference
360 · 360-92-9(CAS DataBase Reference)
Symbol(GHS)
2 · GHS02,GHS07
Signal word
Warning
Hazard statements
226 · H226-H302-H312-H315-H319-H332-H335
Precautionary statements
261 · P261-P280-P305+P351+P338-P210-P303+P361+P353-P405-P501a
Hazard Codes
Xn,Xi,F

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

wgk
3
ridadr
UN 1993 3/PG 3
hs_code
2924190090
risk_code
10-20/21/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS02,GHS07
hazard_code
Xn,Xi,F
hazard_note
Irritant
safety_code
16-26-36
hazard_class
3
packing_group
III
Hazard statements
H226-H302-H312-H315-H319-H332-H335
Limited Quantities
5.0 L (1.3 gallons) (liquid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Chemistry & industry

Applications

UsesN,N-Diethyl-2,2,2-trifluoroacetamide can be prepared to use as an important intermediate for pesticides and veterinary drugs.

Upstream & downstream products

Upstream raw materials

2-Propanone, 1,1,1,3,3-pentafluoro-3-nitro-Bis(3,5-dimethylphenyl)diethylaminophosphinet-Butyl trifluoroacetateTrifluoroacetic acid p-tolyl esterTrifluoroacetyl chloride2,2,2-Trifluoroethyl trifluoroacetate1,1,1-TrichlorotrifluoroethaneDiethylamineEthyl trifluoroacetate

Downstream products

3',5'-Dichloro-2,2,2-trifluoroacetophenone3'-Methoxy-2,2,2-trifluoroacetophenone

Suppliers58 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Related reactions

5 records
New reaction record
HRID 73137 reaction equation
HRID 73137As reactantuspto-grants-2014_09
HRID 1204890 reaction equation
HRID 1204890As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1425705 reaction equation
HRID 1425705As reactantuspto-grants-2015_01
HRID 1540329 reaction equation
HRID 1540329As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1961452 reaction equation
HRID 1961452As reactantuspto-grants-2013_04

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Risk Statements
10 · 10-20/21/22-36/37/38
Safety Statements
16 · 16-26-36
RIDADR
1993 · UN 1993 3/PG 3
WGK Germany
3 · 3
Hazard Note
Irritant
HazardClass
3 · 3
PackingGroup
III
HS Code
2924190090 · 2924190090
Limited Quantities
5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements
P261-P280-P305+P351+P338-P210-P303+P361+P353-P405-P501a
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
常州琬瑶生物科技有限公司051989185693 15312551983 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
青岛格力斯药业有限公司189-4623-7973 13375559818 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津奥立非医药技术有限公司18202662021 18522876413 · [email protected]
苏州朗行生物科技有限公司0512-62968256 18550502935 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海凯米莱铂生物科技有限公司18116465878 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
山东崇成能源科技有限公司18253333366 · [email protected]
科瑞希(天津)新材料技术有限公司022-83945173 18622315263 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海鹤成医药科技有限公司13564747822 · [email protected]
山东小野化学股份有限公司0539-6362799 20)
湖北诺纳科技有限公司59209883 17386169806 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海启乔生物科技有限公司021-37653318 15221675714 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
南京知研科技有限公司15365097539 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
苏州睿火生物医药有限公司13162573103 · [email protected]
中科双航化学(大连)有限公司+86-411-66858498 13941194417 · [email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
武汉永利源医药科技有限公司15927337358 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001