HuagongsheHuagongshe Chemistry Print Report · For research reference only
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
Identifiers & Physical Properties
| CAS No. | 204571-13-1 |
|---|---|
| Molecular formula | CCuN |
| Average molar mass | 90.56 g/mol |
| Monoisotopic mass | 89.9297064 g/mol |
| SMILES | [C-]#[15N].[Cu+] |
| InChIKey | DOBRDRYODQBAMW-CGOMOMTCSA-N |
| PubChem CID | 17749156 |
| EC No. | 683-615-2 |
| DTXSID | DTXSID20583688 |
Chemical & Physical Properties
| Topological polar surface area | 23.8 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 3 |
| Formal charge | 0 |
| Complexity | 10 |
| Melting point | 454 °C (lit.) |
| Density | 2.920 g/mL at 25 °C |
| Physical state | solid |
| InChI | 1S/CN.Cu/c1-2/i2+1 |
| InChIKey | DULSAGLWMRMKCQ-CGOMOMTCSA-N |
| SMILES | [Cu]C#[15N] |
| UNSPSC Code | 12352202 |
| NACRES | NA.12 |
| CAS Number Unlabeled | 544-92-3 |
| GHS pictogram | GHS06,GHS09 |
| Signal word | Danger |
| GHS hazard statements | H300+H310+H330-H410 |
| GHS precautionary statements | P262-P273-P280-P301+P310+P330-P302+P352+P310-P304+P340+P310 |
| Target organs | Liver,spleen,Bone marrow |
| Hazard symbols | T+,N |
| Risk statements (R) | 26/27/28-32-50/53 |
| Safety statements (S) | 7-28-29-45-60-61 |
| UN transport number | UN 1587 6.1/PG 2 |
| Water hazard class (WGK) | 2 |
| Storage class | 6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Hazard class | Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2 Oral |
Safety & Regulations
| GHS classification | 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%) |
| Water hazard class (WGK) | 2 |
| UN transport number | UN 1587 6.1/PG 2 |
| Risk statements (R) | 26/27/28-32-50/53 |
| Signal word | Danger |
| GHS pictogram | GHS06,GHS09 |
| Hazard symbols | T+,N |
| Safety statements (S) | 7-28-29-45-60-61 |
| Storage class | 6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Target organs | Liver,spleen,Bone marrow |
| GHS hazard statements | H300+H310+H330-H410 |
| Hazard class | Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2 Oral |
| GHS precautionary statements | P262-P273-P280-P301+P310+P330-P302+P352+P310-P304+P340+P310 |
Applications & Uses
Uses
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.