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Vanilla tincture structure, CAS 8047-24-3

Vanilla tincture

CAS Number8047-24-3

Synonyms4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]-2-pyrimidinamine

Molecular FormulaC16H13F3N4S

Molecular Weight350.361

Purity98.00%

Density1.4±0.1 g/cm3

Boiling Point475.7±55.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

EINECS232-463-1

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Symbol

Signal Word

Cat. No.: 2A-9034334 Purity: 98.00%
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Quality Control of [ 8047-24-3 ] Purity: 98.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number8047-24-3
Catalog No.2A-9034334
Chinese Name香荚兰酊
Synonyms4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]-2-pyrimidinamine
Molecular FormulaC16H13F3N4S
Molecular Weight350.361
Purity98.00
Density1.4±0.1 g/cm3
Boiling Point475.7±55.0 °C at 760 mmHg
EINECS232-463-1
PubChem ID469088079
SMILESCC1(C)CN(C(=O)C=Cc2c(-n3cnnn3)ccc(Cl)c2F)C(C(=O)Cc2ccc(C(=O)O)cc2)c2cccc(-c3ccc(C(N)=O)cc3)c21.CNC(=O)c1ccc(-c2cccc3c2C(C)(C)CN(C(=O)C=Cc2c(-n4cnnn4)ccc(Cl)c2F)C3C(=O)Cc2ccc(C)cc2)cc1.Cc1ccc(CC(=O)C2c3cccc(-c4ccc([N+](=O)[O-])cc4)c3C(C)(C)CN2C(=O)C=Cc2c(-n3cnnn3)ccc(Cl)c2F)cc1
InChIInChI=1S/C38H34ClFN6O3.C37H30ClFN6O5.C36H30ClFN6O4/c1-23-8-10-24(11-9-23)20-32(47)36-29-7-5-6-27(25-12-14-26(15-13-25)37(49)41-4)34(29)38(2,3)21-45(36)33(48)19-16-28-31(46-22-42-43-44-46)18-17-30(39)35(28)40;1-37(2)19-44(31(47)17-14-26-29(45-20-41-42-43-45)16-15-28(38)33(26)39)34(30(46)18-21-6-8-24(9-7-21)36(49)50)27-5-3-4-25(32(27)37)22-10-12-23(13-11-22)35(40)48;1-22-7-9-23(10-8-22)19-31(45)35-28-6-4-5-26(24-11-13-25(14-12-24)44(47)48)33(28)36(2,3)20-42(35)32(46)18-15-27-30(43-21-39-40-41-43)17-16-29(37)34(27)38/h5-19,22,36H,20-21H2,1-4H3,(H,41,49);3-17,20,34H,18-19H2,1-2H3,(H2,40,48)(H,49,50);4-18,21,35H,19-20H2,1-3H3
InChI KeyMCRGBNHNSZXHEN-UHFFFAOYSA-N
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