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Copper(I) cyanide-15N
Cuprous Cyanide-15N · Copper(I) cyanide-1?N · COPPER(I) CYANIDE-15N · Cuprous cyanide (1?N, 99%) · COPPER(I) CYANIDE-15N , 98 ATOM % 15N
識別子と物理属性
| CAS No. | 204571-13-1 |
|---|---|
| 分子式 | CCuN |
| 平均分子量 | 90.56 g/mol |
| 単同位体質量 | 89.9297064 g/mol |
| SMILES | [C-]#[15N].[Cu+] |
| InChIKey | DOBRDRYODQBAMW-CGOMOMTCSA-N |
| PubChem CID | 17749156 |
| EC No. | 683-615-2 |
| DTXSID | DTXSID20583688 |
化学・物理的性質
| 極性表面積 | 23.8 |
|---|---|
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 3 |
| 形式電荷 | 0 |
| 複雑度 | 10 |
| 融点 | 454 °C (lit.) |
| 密度 | 2.920 g/mL at 25 °C |
| 外観・状態 | solid |
| InChI | 1S/CN.Cu/c1-2/i2+1 |
| InChIKey | DULSAGLWMRMKCQ-CGOMOMTCSA-N |
| SMILES | [Cu]C#[15N] |
| CAS Number Unlabeled | 544-92-3 |
安全性と法規制
| GHS 分類 | DangerH300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 2 (100%) |
| 水環境危害等級（WGK） | 2 |
| 輸送番号（UN） | UN 1587 6.1/PG 2 |
| 危険文句（R） | 26/27/28-32-50/53 |
| 危険表示 | T+,N |
| 安全措置（S） | 7-28-29-45-60-61 |
| 危険等級 | Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2 Oral |
| 貯蔵分類 | 6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
用途
使用
Cuprous Cyanide-15N is an intermediate in the synthesis of Bictegravir-15N, d2 (B382096), which is the labeled version of Bictegravir, which is a novel, potent inhibitor of HIV-1 integrase with an IC50 of 7.5 nM.