2-アミノ-5-ヨードピリミジン

2-Amino-5-iodopyrimidine

HCID 241102

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1445-39-2
標準SMILES: Nc1ncc(I)cn1
InChIKey: HAFKCGZQRIIADX-UHFFFAOYSA-N
分子式: C4H4IN3
平均分子量: 221 g/mol
単同位体質量: 220.94499

名称と識別子

優先名称: 2-Amino-5-iodopyrimidine
IUPAC: 5-iodopyrimidin-2-amine
現地名: 2-アミノ-5-ヨードピリミジン
英語名: 2-Amino-5-iodopyrimidine
分子式: C4H4IN3
分子量: 221

名称と別名

2-Amino-5-iodopyrimidineDTXSID00286903RefChem:464620DTXCID30238051625-750-11445-39-25-iodopyrimidin-2-amine2-Amino-5-iodo-pyrimidine2-Pyrimidinamine, 5-iodo-MFCD010756665-iodopyrimidine-2-ylamine5-iodo-2-pyrimidinamine

名称をさらに表示

2-アミノ-5-ヨードピリミジン2-アミノ-5-ヨードピリミジン, 97%2-PyriMidinaMine,5-iodo-2-Amino-5-iodopyrimidine,97%2-Amino-5-Iodopyrimidine 98%2-AMINO-5-IODOPYRIMIDINE ISO 9001：2015 REACH5-Iodopyrimidin-2-amine, 2-Amino-5-iodo-1,3-diazine

5-Iodo-pyrimidin-2-ylamineNSC482245-iodo-2-aminopyrimidineSCHEMBL724513pyrimidine, 2-amino-5-iodo-2-Amino-5-iodopyrimidine, 97%NSC 48224NSC-48224

データベース識別子

CAS: 1445-39-2
PubChem CID: 241102
DTXSID: DTXSID00286903
EC Number: 625-750-1
Nikkaji: J1.237.176D

物性

構造計算による物性

XLogP: 0.5
極性表面積: 51.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 69

物理化学的性質

融点: 219 °C · 219 °C
沸点: 364.9 · 364.9±34.0 °C(Predicted)
比重(密度): 2.204 · 2.204±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: powder
酸解離定数(Pka): 2.08 · 2.08±0.10(Predicted)
InChI: InChI=1S/C4H4IN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)
InChIKey: HAFKCGZQRIIADX-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(I)C=N1
CAS データベース: 1445 · 1445-39-2(CAS DataBase Reference)

化学的性質

化学的特性cream to brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (88.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, P305+P354+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 45 reports by companies from 5 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.