Copper(I) cyanide-15N

HCID 17749156CAS 204571-13-1

基本情報

標準SMILES: [C-]#[15N].[Cu+]
InChIKey: DOBRDRYODQBAMW-CGOMOMTCSA-N
分子式: CCuN
平均分子量: 90.56 g/mol
単同位体質量: 89.9297064

名称と識別子

優先名称: Copper(I) cyanide-15N
IUPAC: (15N)azanylidynemethane;copper(1+)
英語名: COPPER(I) CYANIDE-15N
分子式: CCuN
分子量: 90.56

名称と別名

Copper(I) cyanide-15NRefChem:578881683-615-2(15N)Azanylidynemethane;copper(1+)SCHEMBL1331157Cuprous Cyanide-15NCopper(I) cyanide-1?NCuprous cyanide (1?N, 99%)COPPER(I) CYANIDE-15N , 98 ATOM % 15N

データベース識別子

CAS: 204571-13-1
PubChem CID: 17749156
DTXSID: DTXSID20583688
EC Number: 683-615-2

物性

構造計算による物性

極性表面積: 23.8 Å²
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

物理化学的性質

融点: 454 °C · 454 °C (lit.)
比重(密度): 2.92 g/mL · 2.920 g/mL at 25 °C
外見: solid
InChI: 1S/CN.Cu/c1-2;/i2+1;
InChIKey: DULSAGLWMRMKCQ-CGOMOMTCSA-N
SMILES: [Cu]C#[15N]
CAS Number Unlabeled: 544 · 544-92-3

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H300 (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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 2 (100%)

安全データ

wgk: 2
ridadr: UN 1587 6.1/PG 2
risk_code: 26/27/28-32-50/53
hazard_code: T+,N
safety_code: 7-28-29-45-60-61
Hazard Classifications: Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2 Oral
ストレージクラス: 6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

応用分野

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.

サプライヤー6 社

Aladdin Scientific[email protected]

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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

热耳科技（上海）有限公司021-64400900 15800436310 · [email protected]