Basic information
- CAS
18585-06-3- Standard SMILES
CCOC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1- InChIKey
BAFPGGUKCVCSKG-UHFFFAOYSA-N- Molecular formula
- C10H9ClF3NO2
- Average molar mass
- 267.63 g/mol
- Monoisotopic mass
- 267.02739087
Names & identifiers
- Preferred name
- Ethyl 4-chloro-3-trifluoromethylcarbanilate
- IUPAC
- ethyl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
- English name
- Ethyl 4-chloro-3-trifluoromethylcarbanilate
- Molecular formula
- C10H9ClF3NO2
- Molecular weight
- 267.63
Names & synonyms
18585-06-3Ethyl 4-chloro-3-trifluoromethylcarbanilateDTXSID20171802RefChem:138759DTXCID4094293BAFPGGUKCVCSKG-UHFFFAOYSA-NEthyl (4-chloro-3-(trifluoromethyl)phenyl)carbamateethyl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamateMFCD00043450Ethyl 4-chloro-3-(trifluoromethyl)phenylcarbamateSorafenib Tosylate Impurity Eethyl [4-chloro-3-(trifluoromethyl)phenyl]carbamate
Show more names
RG-S3-YZTIMTEC-BB SBB008265Regorafenib Impurity 39Regorafenib impurity 02Sorafenib related coMpound 2Regorafenib Ethyl Carbamate ImpurityEthyl 4-chloro-3-trifluoromethylaniline formate
Ethyl(4-chloro-3-(trifluoromethyl)phenyl)carbamateEthyl[4-chloro-3-(trifluoromethyl)phenyl]carbamateN-[4-chloro-3-(trifluoromethyl)phenyl]ethoxycarboxamideN-[4-Chloro-3-(trifluoromethyl)phenyl]carbamic Acid Ethyl Ester; [4-Chloro-3-(trifluoromethyl)phenyl]carbamic Acid Ethyl Ester; 4-Chloro-3-(trifluoromethyl)carbanilic Acid Ethyl Ester; Sorafenib Impurity 2BZR9ZY5XMVSorafenib EP Impurity GSCHEMBL3653901SBB008265
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Boiling point
- 252.5 · 252.5±40.0 °C(Predicted)
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 12.44 · 12.44±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- InChI
- 1S/C10H9ClF3NO2/c1-2-17-9(16)15-6-3-4-8(11)7(5-6)10(12,13)14/h3-5H,2H2,1H3,(H,15,16)
- InChIKey
- BAFPGGUKCVCSKG-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1c(ccc(c1)NC(=O)OCC)Cl
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
UsesEthyl (4-Chloro-3-(trifluoromethyl)phenyl)carbamate is an impurity of Sorafenib (S676850); a multiple kinase inhibitor targeting both RAF and receptor tyrosine kinases that promote angiogenesis. Also antineoplastic.
Suppliers64 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
武汉创浩生物科技有限公司13361917963 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
孟成科技（上海）有限公司
Related reactions
2 records
Compound notes
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