2-アミノ-4-フェニルフェノール

2-Amino-4-phenylphenol

HCID 14562CAS 1134-36-7

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1cc(-c2ccccc2)ccc1O
InChIKey: IGIDZGNPFWGICD-UHFFFAOYSA-N
分子式: C12H11NO
平均分子量: 185.22 g/mol
単同位体質量: 185.08406397

名称と識別子

優先名称: 2-Amino-4-phenylphenol
IUPAC: 2-amino-4-phenylphenol
現地名: 2-アミノ-4-フェニルフェノール
英語名: 2-AMINO-4-PHENYLPHENOL
分子式: C12H11NO
分子量: 185.22

名称と別名

2-Amino-4-phenylphenol1134-36-73-Amino-4-hydroxybiphenyl3-Aminobiphenyl-4-ol[1,1'-Biphenyl]-4-ol, 3-amino-2-Hydroxy-5-phenylaniline4-Biphenylol, 3-amino-Phenol, 2-amino-4-phenyl-EINECS 214-484-8(1,1'-Biphenyl)-4-ol, 3-amino-4-phenyl-2-aminophenolNSC 7950

名称をさらに表示

2-アミノ-4-フェニルフェノール3-アミノビフェニル-4-オール3-アミノ-4-ヒドロキシビフェニル4-フェニル-2-アミノフェノール2-アミノ-4-フェニルフェノ-ル3-アミノ-[1,1'-ビフェニル]-4-オールnsc79503-amino-4-biphenyloLABOTEST-BB LT000892503-AMINO-4-PHENYLPHENOL2-azanyl-4-phenyl-phenol

DTXSID8061553NSC-79503-AMINO-4-BIPHENYLOL3D49P06660AMINO-(1,1'-BIPHENYL)-4-OL, 3-RefChem:464369DTXCID60333263-Amino-[1,1'-biphenyl]-4-ol

データベース識別子

CAS: 1134-36-7
PubChem CID: 14562
DTXSID: DTXSID8061553
ChEMBL: CHEMBL574583
ChEBI: CHEBI:105700
UNII: 3D49P06660
EC Number: 214-484-8
Nikkaji: J39.597H

物性

構造計算による物性

XLogP: 2.4
極性表面積: 46.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
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: 198 · 198-202 °C (lit.)
沸点: 356 · 356.0±35.0 °C(Predicted)
比重(密度): 1.191 · 1.191±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 9.66 · 9.66±0.18(Predicted)
外見: 粉
色: 白から薄茶色
InChI: InChI=1S/C12H11NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2
InChIKey: IGIDZGNPFWGICD-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=CC=C(O)C(N)=C1
CAS データベース: 1134 · 1134-36-7(CAS DataBase Reference)
EPAの化学物質情報: 1 · [1,1'-Biphenyl]-4-ol, 3-amino- (1134-36-7)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H312 (95.3%): 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]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 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. 4 (95.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: DV6037500
hs_code: 2922290090
risk_code: 36/37/38
化審法: (4)-32
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 DermalEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information[1,1'-Biphenyl]-4-ol, 3-amino-: ACTIVE

応用分野 · 2 件

使用2-Amino-4-phenylphenol is suitable as an internal standard to investigate the enzymatic activity of N-hydroxy-N-2-fluorenylacetamide (N-OH-2-FAA), a mammary gland carcinogen in the female Sprague-Dawley rat, by HPLC. It may be used as a chelating agent for metal ions.

一般的な説明2-Amino-4-phenylphenol is an aminoalcohol derivative. It participates in the synthesis of bisbenzoxazoles.