| Chemical & Physical Properties | |
|---|---|
| CAS Number | 112809-52-6 |
| Catalog No. | 2A-9050685 |
| Chinese Name | 4,4'-(4H-1,2,4-三唑-4-基亚甲基)双苄腈(与来曲唑相关的化合物A) |
| Synonyms | letrozole regioisomer; Iso Letrozole; UNII-7VSW8QP34K |
| Molecular Formula | C17H11N5 |
| Molecular Weight | 285.30 |
| Purity | 98.00 |
| Density | 1.21g/cm3 |
| Boiling Point | 563.5ºC at 760mmHg |
| HTC | 2933990090 |
| MDL Number | MFCD07368028 |
| SMILES | [n]3(cnnc3)C(c2ccc(cc2)C#N)c1ccc(cc1)C#N |
| InChI | 1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-11-20-21-12-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H |
| InChI Key | BCTXUGAAOFIJGX-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/50685_1_112809_52_6.pdf |
| Use of | Letrozole related compound B is an aromatase inhibitor impurity. Properties Name 4-[(4-cyanophenyl)-(1,2,4-triazol-4-yl)methyl]benzonitrile Synonym More Synonyms Chemical & Physical Properties Molecular Formula C17H11N5 Exact Mass 285.10100 PSA 78.29000 LogP 2.65916 Index of Refraction 1.665 InChIKey BCTXUGAAOFIJGX-UHFFFAOYSA-N Safety Information RIDADR NONH for all modes of transport HS Code 2933990090 Synthetic Route Total: 1 Page 1,2,4-Triazole CAS#:288-88-0 4,4'-(Bromometh... CAS#:69545-39-7 Letrozole relat... CAS#:112809-52-6 CAS#:112809-51-5 4-((4H-1,2,4-Tr... CAS#:112809-27-5 4-Fluorobenzonitrile CAS#:1194-02-1 4-(1H-1,2,4-Tri... CAS#:112809-25-3 Letrozole relat... CAS#:112809-52-6 Precursor & DownStream Precursor 5 CAS#:288-88-0 1,2,4-Triazole CAS#:69545-39-7 4,4'-(Bromometh... CAS#:112809-27-5 4-((4H-1,2,4-Tr... CAS#:1194-02-1 4-Fluorobenzonitrile DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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