Ethyl 4-chloro-8-(trifluoromethyl)quinoline-3-carboxylate

HCID 725465

Basic information

CAS
31602-11-6
Standard SMILES
CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Cl
InChIKey
CIGIGQHDHKBPAZ-UHFFFAOYSA-N
Molecular formula
C13H9ClF3NO2
Average molar mass
303.66 g/mol
Monoisotopic mass
303.0273907

Names & identifiers

Preferred name
Ethyl 4-chloro-8-(trifluoromethyl)quinoline-3-carboxylate
IUPAC
ethyl 4-chloro-8-(trifluoromethyl)quinoline-3-carboxylate
English name
4-Chloro-8-(trifluoromethyl)quinoline-3-carboxylic ethyl ester
Molecular formula
C13H9ClF3NO2
Molecular weight
303.66

Names & synonyms

31602-11-6ethyl 4-chloro-8-(trifluoromethyl)quinoline-3-carboxylate4-chloro-8-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester4-Chloro-8-(trifluoromethyl)quinoline-3-carboxylic ethyl esterMFCD00173388ethyl 4-chloro-8-(trifluoromethyl)-3-quinolinecarboxylate4-chloro-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl esterSCHEMBL1124642Ethyl4-chloro-8-(trifluoromethyl)quinoline-3-carboxylateDTXSID90352388HMS1694F214-Chloro-8-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester
Show more names
4-chloro-8-(trifluoromethyl)quinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 4-chloro-8-(trifluoromethyl)-, ethyl ester
AKOS000535020SB72417SY035691DB-068488CS-0061589ST501973096J-027W18392

Database identifiers

CAS
31602-11-6
PubChem CID
725465
DTXSID
DTXSID90352388

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
39.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
20

Physicochemical properties

storage temp.
2 · Storage temp. 2-8°C
Appearance
Off-white to yellow Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

hs_code
2933499090
risk_code
36
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26
Hazard statements
H302-H315-H319-H335

Chemistry & industry

Suppliers21 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Shangchem Co., Ltd.+86-21-68182121
skychemical Co.Ltd021-20958197 20965099 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]

Related reactions

5 records

Compound notes

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