2,4-ジクロロ-5-ヨード-7H-ピロロ[2,3-D]ピリミジン

2,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidine

HCID 57415902

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1012785-51-1
標準SMILES: Clc1nc(Cl)c2c(I)c[nH]c2n1
InChIKey: RIRSSBIXHXMTLS-UHFFFAOYSA-N
分子式: C6H2Cl2IN3
平均分子量: 313.91 g/mol
単同位体質量: 312.86705

名称と識別子

優先名称: 2,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidine
IUPAC: 2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
現地名: 2,4-ジクロロ-5-ヨード-7H-ピロロ[2,3-D]ピリミジン
英語名: 2,4-Dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
分子式: C6H2Cl2IN3
分子量: 313.91

名称と別名

2,4-DICHLORO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDINE1012785-51-1DTXSID607255852,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidineRefChem:246239DTXCID50676330813-160-9MFCD131893647H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-5-iodo-SCHEMBL1017711AKOS016001612CS-W005702

名称をさらに表示

2,4-ジクロロ-5-ヨード-7H-ピロロ[2,3-D]ピリミジンRW40632,4-Dichloro-5-iodo-7H-py...2,4-DICHLORO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN

SB10375DS-11442SY058440AM10272FT-0742010SCHEMBL2208829CHEMBL6192345DA-16381

データベース識別子

CAS: 1012785-51-1
PubChem CID: 57415902
DTXSID: DTXSID60725585
ChEMBL: CHEMBL6192345
EC Number: 813-160-9
Nikkaji: J2.613.864G

物性

構造計算による物性

XLogP: 3.2
極性表面積: 41.6 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 182

物理化学的性質

融点: 224 °C · 224 °C(Solv: dichloromethane (75-09-2))
比重(密度): 2.337 · 2.337±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): 8.78 · 8.78±0.50(Predicted)
外見: powder
色: Light yellow
CAS データベース: 1012785 · 1012785-51-1

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；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]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): 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 4 reports by companies from 4 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.