PHR3781

Tannic acid

reference material, pharmaceutical secondary standard

• Synonym(s): Gallotannin, Tannin
• Empirical Formula (Hill Notation): C₇₆H₅₂O₄₆
• CAS Number: 1401-55-4
• Molecular Weight: 1701.20
• Beilstein: 8186396
• MDL number: MFCD00066397
• UNSPSC Code: 41116107

Properties

• grade: pharmaceutical secondary standard; reference material
• Quality Level: 300
• Agency: traceable to USP 1643328
• API family: tannic acid
• autoignition temp.: 980 °F
• packaging: pkg of 2 g
• mp: 218 °C (lit.)
• application(s): pharmaceutical
• compatibility: standard for Qualitative Use
• SMILES string: Oc1cc(cc(O)c1O)C(=O)Oc2cc(cc(O)c2O)C(=O)OC[C@H]3O[C@@H](OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)[C@H](OC(=O)c6cc(O)c(O)c(OC(=O)c7cc(O)c(O)c(O)c7)c6)[C@@H](OC(=O)c8cc(O)c(O)c(OC(=O)c9cc(O)c(O)c(O)c9)c8)[C@@H]3OC(=O)c%10cc(O)c(O)c(OC(=O)c%11cc(O)c(O)c(O)c%11)c%10
• InChI: 1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1
• InChI key: LRBQNJMCXXYXIU-PPKXGCFTSA-N

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 2
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable