2-クロロ-4,5-ジアミノピリミジン

2-Chloropyrimidine-4,5-diamine

HCID 84565CAS 14631-08-4
部分構造検索類似構造を探す

基本情報

標準SMILES
Nc1cnc(Cl)nc1N
InChIKey
QDUJVEOOSNUDDW-UHFFFAOYSA-N
分子式
C4H5ClN4
平均分子量
144.56 g/mol
単同位体質量
144.0202739

名称と識別子

優先名称
2-Chloropyrimidine-4,5-diamine
IUPAC
2-chloropyrimidine-4,5-diamine
現地名
2-クロロ-4,5-ジアミノピリミジン
英語名
2-Chloro-4,5-diaminopyrimidine
分子式
C4H5ClN4
分子量
144.56

名称と別名

2-Chloropyrimidine-4,5-diamine14631-08-44,5-Pyrimidinediamine, 2-chloro-2-Chloro-4,5-pyrimidinediamineAI3-52054EINECS 238-672-4DTXSID70163353NSC 45754RefChem:470517DTXCID8085844238-672-4InChI=1/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)
名称をさらに表示
2-クロロ-4,5-ジアミノピリミジン2-クロロ-4,5-ピリミジンジアミン2-クロロピリミジン-4,5-ジアミンIFLAB-BB F1371-01556-Chloro-2,3-PyriMidinediaMine2-CHLORO-4,5-DIAMONOPYRIMIDINE(4-amino-2-chloro-pyrimidin-5-yl)amin4,5-Pyrimidinediamine, 2-chloro- (9CI)(4-amino-2-chloro-pyrimidin-5-yl)amine
QJIUMVUZDYPQRT-UHFFFAOYSA-2-Chloro-4,5-diaminopyrimidine4,5-Diamino-2-chloropyrimidineMFCD00047355Pyrimidine, 4,5-diamino-2-chloro-TW5LFP3QGS2-Chloro-pyrimidine-4,5-diamineNSC-45754

データベース識別子

CAS
14631-08-4
PubChem CID
84565
DTXSID
DTXSID70163353
UNII
TW5LFP3QGS
EC Number
238-672-4
Nikkaji
J101.373D

物性

構造計算による物性

XLogP
0.1
極性表面積
77.8 Ų
水素結合供与体数
2
水素結合受容体数
4
回転可能結合数
0
重原子数
9

物理化学的性質

融点
220 °C · 220 °C (decomp)
沸点
417.9 · 417.9±25.0 °C(Predicted)
比重(密度)
1.564 · 1.564±0.06 g/cm3(Predicted)
貯蔵温度
2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka)
3.61 · 3.61±0.10(Predicted)
InChI
InChI=1S/C4H5ClN4/c5-4-8-1-2(6)3(7)9-4/h1H,6H2,(H2,7,8,9)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302+H312+H332 (90.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 31 reports by companies from 3 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. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

安全データ

hs_code
2933599590
risk_code
22-36-43
hazard_code
Xn
safety_code
26-36/37

化学と産業

上流・下流製品情報

サプライヤー50 社

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

関連反応

2 件
反応記録を作成

関連ノート

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