CAS 71031-48-6 4-Hydroxy-3-iodobiphenyl (HCID 4106140)

基本情報

CAS: 71031-48-6
標準SMILES: Oc1ccc(-c2ccccc2)cc1I
InChIKey: RXRDOSHIMLSXKG-UHFFFAOYSA-N
分子式: C12H9IO
平均分子量: 296.1 g/mol
単同位体質量: 295.96981

名称と識別子

優先名称: 4-Hydroxy-3-iodobiphenyl
IUPAC: 2-iodo-4-phenylphenol
英語名: 4-Hydroxy-3-iodobiphenyl 95
分子式: C12H9IO
分子量: 296.1

名称と別名

4-Hydroxy-3-iodobiphenyl71031-48-6DTXSID40399384RefChem:293238DTXCID70350241624-598-32-iodo-4-phenylphenol3-iodo-[1,1'-biphenyl]-4-olMFCD000947243-Iodobiphenyl-4-ol4-Hydroxy-3-Iodo-biphenyl2-iodo-4-phenyl-phenol

名称をさらに表示

3-iodo-(1,1'-biphenyl)-4-ol4-Hydroxy-3-iodobiphenyl 954-Hydroxy-3-iodobiphenyl 95%4-Hydroxy-3-iodobiphenyl 95%[1,1'-Biphenyl]-4-ol, 3-iodo-3-Iodo-(1,1μ-biphenyl)-4-ol, 3-Iodo-4-phenylphenol

4-phenyl-2-iodophenol3-Iodo-biphenyl-4-olSCHEMBL326717SCHEMBL54937013-Iodo[1,1'-biphenyl]-4-ol4-Hydroxy-3-iodobiphenyl, 95%4-Hydroxy-3-iodobiphenyl, 97%RXRDOSHIMLSXKG-UHFFFAOYSA-N

データベース識別子

CAS: 71031-48-6
PubChem CID: 4106140
DTXSID: DTXSID40399384
EC Number: 624-598-3
Nikkaji: J338.592B

物性

構造計算による物性

XLogP: 3.8
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 177

物理化学的性質

融点: 115 · 115-119 °C (lit.)
外見: solid
InChI: 1S/C12H9IO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H
InChIKey: RXRDOSHIMLSXKG-UHFFFAOYSA-N
SMILES: Oc1ccc(cc1I)-c2ccccc2

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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 CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；Aquatic Chronic 2 (100%)

安全データ

wgk: 3
ridadr: UN 3077 9/PG 3
risk_code: 38-41-51/53
hazard_code: Xi,N
safety_code: 26-36/37/39-61
Hazard Classifications: Aquatic Chronic 2Eye Dam. 1Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

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