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
- Formal charge
- 0
- Complexity
- 364
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
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- HS Code
- 2933499090 · 2933499090
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
- Precautionary statements
- P280-P305+P351+P338
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]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
南京伶亚生物医药科技有限公司18068075658 · [email protected]
合肥孚亚生物技术有限公司18096409024 · [email protected]
上海天习化工有限公司021-20960837,QQ1332204249 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
上海研邦医药科技有限公司15618536883 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
武汉创合化学有限公司15907120073 · [email protected]
Related reactions
5 records
Compound notes
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