2,4-Diaminopyrimidine-5-carbonitrile

HCID 282115CAS 16462-27-4

基本情報

標準SMILES
N#Cc1cnc(N)nc1N
InChIKey
OYUQCQCQLDTRHQ-UHFFFAOYSA-N
分子式
C5H5N5
平均分子量
135.13 g/mol
単同位体質量
135.05449518

名称と識別子

優先名称
2,4-Diaminopyrimidine-5-carbonitrile
IUPAC
2,4-diaminopyrimidine-5-carbonitrile
英語名
2,4-Diaminopyrimidine-5-carbonitrile
分子式
C5H5N5
分子量
135.13

名称と別名

2,4-Diaminopyrimidine-5-carbonitrile16462-27-4DTXSID60300179RefChem:82285DTXCID60251314813-877-72,4-Diamino-5-cyanopyrimidine2,4-Diamino-pyrimidine-5-carbonitrileMFCD000856005-Pyrimidinecarbonitrile, 2,4-diamino-NSC 1352352,4-diamino-5-pyrimidine carbonitrile
名称をさらに表示
2,4-DIAMINO-5-CYANO-PYRIMIDINE2,4-Diaminopyrimidine-5-carbonitriL2,4-Diaminopyrimidine-5-carbonitrile ,97%5-Pyrimidinecarbonitrile, 2,4-diamino- (6CI,8CI,9CI)2,4-DIAMINOPYRIMIDINE-5-CARBONITRILE ISO 9001:2015 REACH
2,4-Diamino-5-cyanopyrimidine; 2,4-Diamino-5-pyrimidinecarbonitrile; NSC 135235;2,4-diamino-5-pyrimidinecarbonitrileNSC135235SCHEMBL263835SCHEMBL17330922pyrimidine, 2,4-diamino-5-cyano-SBB012809STK785133

データベース識別子

CAS
16462-27-4
PubChem CID
282115
DTXSID
DTXSID60300179
EC Number
813-877-7

物性

構造計算による物性

XLogP
-0.2
極性表面積
102 Ų
水素結合供与体数
2
水素結合受容体数
5
回転可能結合数
0
重原子数
10

物理化学的性質

融点
318 °C · 318 °C (decomp)
沸点
498.2 · 498.2±55.0 °C(Predicted)
比重(密度)
1.45 · 1.45±0.1 g/cm3(Predicted)
貯蔵温度
2 · Keep in dark place,Sealed in dry,2-8°C
溶解性
DMF(微量、加熱)、DMSO(微量)
外見
個体

化学的性質

化学的特性Yellow Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (50%);Acute Tox. 4 (50%);Acute Tox. 3 (50%);Acute Tox. 4 (50%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 3 (50%);Acute Tox. 4 (50%);STOT SE 3 (100%)

安全データ

hs_code
29335990

化学と産業

応用分野

使用2,4-Diaminopyrimidine-5-carbonitrile is used as an intermediate for the preparation of medicines and agrochemicals (1).

サプライヤー50 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

関連反応

4 件

関連ノート

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