2,6-ジクロロ-3-ヨードピリジン塩化物ヨウ化物

2,6-Dichloro-3-iodopyridine

HCID 2736002CAS 148493-37-2

部分構造検索類似構造を探す

基本情報

標準SMILES: Clc1ccc(I)c(Cl)n1
InChIKey: DPCQIHCGMIPSQV-UHFFFAOYSA-N
分子式: C5H2Cl2IN
平均分子量: 273.88 g/mol
単同位体質量: 272.8609

名称と識別子

優先名称: 2,6-Dichloro-3-iodopyridine
IUPAC: 2,6-dichloro-3-iodopyridine
現地名: 2,6-ジクロロ-3-ヨードピリジン塩化物ヨウ化物
英語名: 2,6-Dichloro-3-iodopyridine
分子式: C5H2Cl2IN
分子量: 273.89

名称と別名

2,6-Dichloro-3-iodopyridine148493-37-2DTXSID10371076RefChem:248218DTXCID20322110640-726-0Pyridine, 2,6-dichloro-3-iodo-MFCD03094686SCHEMBL1344323SCHEMBL29782947DPCQIHCGMIPSQV-UHFFFAOYSA-NGEO-03682

名称をさらに表示

2,6-ジクロロ-3-ヨードピリジン塩化物ヨウ化物2,6-ジクロロ-3-ヨードピリジン2-Dichloro-3-Iodopyridine2,6-Dichloro-3-iodopyridine,98%2,6-Dichloro-3-iodopyridine ISO 9001：2015 REACH

2,6-Dichloro-3-iodopyridine, 97%AKOS007930390AC-9481CS-W010089GS-6733SY016472DB-027660D5061

データベース識別子

CAS: 148493-37-2
PubChem CID: 2736002
DTXSID: DTXSID10371076
EC Number: 640-726-0
Nikkaji: J1.537.714C

物性

構造計算による物性

XLogP: 3.4
極性表面積: 12.9 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 101

物理化学的性質

融点: 74 · 74-79 °C
沸点: 294.8 · 294.8±35.0 °C(Predicted)
比重(密度): 2.129 · 2.129±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): -3.87 · -3.87±0.10(Predicted)
外見: 粉
色: 白から茶色
水溶解度: 水にわずかに溶ける。
InChI: 1S/C5H2Cl2IN/c6-4-2-1-3(8)5(7)9-4/h1-2H
InChIKey: DPCQIHCGMIPSQV-UHFFFAOYSA-N
SMILES: Clc1ccc(I)c(Cl)n1
CAS データベース: 148493 · 148493-37-2(CAS DataBase Reference)

化学的性質

化学的特性Light yellow powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (97.6%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (92.9%)；STOT SE 3 (97.6%)

安全データ

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933399990
risk_code: 22-37/38-41
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects