2-chloro-4-methanesulfonyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid
한글명:2-chloro-4-methanesulfonyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid
카스 번호120100-77-8
상품명:2-chloro-4-methanesulfonyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid
CBNumberCB64748553
분자식C11H10ClF3O5S
포뮬러 무게346.71
MOL 파일120100-77-8.mol
화학적 성질
끓는 점 | 484.8±45.0 °C(Predicted) |
밀도 | 1.522±0.06 g/cm3(Predicted) |
물리적 상태 | 고체 |
물리적 상태 | 단단한 모양 |
산도 계수 (pKa) | 2.02±0.28(Predicted) |
색상 | 하얀색 |
InChI | InChI=1S/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17) |
InChIKey | YGMJOCQCLVNPOD-UHFFFAOYSA-N |
SMILES | C(O)(=O)C1=CC=C(S(C)(=O)=O)C(COCC(F)(F)F)=C1Cl |
EPA | Benzoic acid, 2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]- (120100-77-8) |