CAS 380381-28-2 Methyl 4-iodopicolinate (HCID 22742038)

基本情報

CAS: 380381-28-2
標準SMILES: COC(=O)c1cc(I)ccn1
InChIKey: HSNLSLNACLYWKJ-UHFFFAOYSA-N
分子式: C7H6INO2
平均分子量: 263.03 g/mol
単同位体質量: 262.94433

名称と識別子

優先名称: Methyl 4-iodopicolinate
IUPAC: methyl 4-iodopyridine-2-carboxylate
現地名: 4-ヨードピコリン酸メチル
英語名: Methyl 4-iodopyridine-2-carboxylate
分子式: C7H6INO2
分子量: 263.03

名称と別名

Methyl 4-iodopicolinateRefChem:816490689-298-7methyl 4-iodopyridine-2-carboxylate380381-28-2MFCD082351002-Pyridinecarboxylic acid, 4-iodo-, methyl esterSCHEMBL24907934-Iodopicolinic acid methyl esterDTXSID90627982AMY12266Methyl 4-Iodo-2-Pyri

名称をさらに表示

4-ヨードピコリン酸メチルMethyl-ioddopicolinateMethyl 4-iodo-2-pyridinecarboxylateMethyl4-iodopyridine-2-carboxylate98%Methyl 4-iodopyridine-2-carboxylate 98%Methyl 4-iodopyridine-2-carboxylate ISO 9001：2015 REACHMETHYL 4-IODOPYRIDINE-2-CARBOXYLATE 98%METHYL 4-IODOPICOLINATE

CL0182SBB065371AKOS015891632CS-W006997PS-6228AC-23300SY0276724-iodopyridine-2-carboxylic acid methyl ester

データベース識別子

CAS: 380381-28-2
PubChem CID: 22742038
DTXSID: DTXSID90627982
EC Number: 689-298-7

物性

構造計算による物性

XLogP: 1.7
極性表面積: 39.2 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 151

物理化学的性質

融点: 70 · 70-73
沸点: 327.6 · 327.6±27.0 °C(Predicted)
比重(密度): 1.844 · 1.844±0.06 g/cm3(Predicted)
貯蔵温度: Keep Cold
外見: solid
酸解離定数(Pka): -0.21 · -0.21±0.10(Predicted)
色: Light brown to grey

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): 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 (50%): 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 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.