Ethyl 2-Bromo-4-(trifluoromethyl)thiazole-5-carboxylate - CAS 72850-79-4
Catalog: |
BB034709 |
Product Name: |
Ethyl 2-Bromo-4-(trifluoromethyl)thiazole-5-carboxylate |
CAS: |
72850-79-4 |
Synonyms: |
2-bromo-4-(trifluoromethyl)-5-thiazolecarboxylic acid ethyl ester; ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate |
IUPAC Name: | ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate |
Description: | Ethyl 2-Bromo-4-(trifluoromethyl)thiazole-5-carboxylate (CAS# 72850-79-4) is a useful research chemical. |
Molecular Weight: | 304.08 |
Molecular Formula: | C7H5BrF3NO2S |
Canonical SMILES: | CCOC(=O)C1=C(N=C(S1)Br)C(F)(F)F |
InChI: | InChI=1S/C7H5BrF3NO2S/c1-2-14-5(13)3-4(7(9,10)11)12-6(8)15-3/h2H2,1H3 |
InChI Key: | XPAISTXWPBHIMZ-UHFFFAOYSA-N |
Boiling Point: | 303.561 °C at 760 mmHg |
Density: | 1.725 g/cm3 |
Appearance: | Off-white to gray solid |
MDL: | MFCD08166749 |
LogP: | 3.10110 |
GHS Hazard Statement: | H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020071313-A1 | Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors | 20180831 |
WO-2020047312-A1 | Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors | 20180831 |
US-10752623-B2 | Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors | 20180831 |
CA-3104913-A1 | Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors | 20180831 |
CN-112638898-A | Heteroaryl substituted sulfonamide compounds and their use as sodium channel inhibitors | 20180831 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.91765 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.91765 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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