2-ニトロフェネチルアルコール

2-Nitrophenethyl alcohol

HCID 27054CAS 15121-84-3

基本情報

標準SMILES
O=[N+]([O-])c1ccccc1CCO
InChIKey
SLRIOXRBAPBGEI-UHFFFAOYSA-N
分子式
C8H9NO3
平均分子量
167.16 g/mol
単同位体質量
167.05824315

概要

O-nitrophenethyl alcohol appears as needles dark brown liquid. (NTP, 1992)

名称と識別子

優先名称
2-Nitrophenethyl alcohol
IUPAC
2-(2-nitrophenyl)ethanol
現地名
2-ニトロフェネチルアルコール
英語名
2-Nitrophenethyl alcohol
分子式
C8H9NO3
分子量
167.16

名称と別名

2-(2-Nitrophenyl)ethanol2-Nitrophenethyl alcohol15121-84-3Benzeneethanol, 2-nitro-2-NitrobenzeneethanolO-NITROPHENETHYL ALCOHOL2-(o-Nitrophenyl)ethanol2-(o-Nitrophenyl)ethyl alcoholPhenethyl alcohol, o-nitro-NitrophenylethanolBenzeneethanol, ar-nitro-CCRIS 6078
名称をさらに表示
2-(o-ニトロフェニル)エタノール2-ニトロフェネチルアルコールo-ニトロフェネチルアルコール2-NitrophenethyL2-(2-Nitrophenyl)ethan-1-olNcgc00090875-01o-Nitrophenylethanol2-nitro-benzeneethano2-nitrophenethyl alchol2-nitro-2-phenylethanolo-nitro-phenethylalcoho
DTXSID2025763J2TPT86IRJEINECS 239-178-1BRN 2092464AI3-362711-(2-hydroxyethyl)-2-nitrobenzeneEINECS 273-447-4DTXCID905763

データベース識別子

CAS
15121-84-3、68966-80-3
PubChem CID
27054
DTXSID
DTXSID2025763
ChEMBL
CHEMBL2137523
UNII
J2TPT86IRJ
EC Number
239-178-1、273-447-4
Nikkaji
J275E

物性

構造計算による物性

XLogP
1.5
極性表面積
66.1 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
2
重原子数
12

実験および物理化学的性質

Density1.19 (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Flash Pointgreater than 230 °F (NTP, 1992)
Boiling Point513 °F at 760 mmHg (NTP, 1992)
Melting Point36 °F (NTP, 1992)
Vapor Pressure1 mmHg at 81 °F ; 1.5 mmHg at 84 °F; 4.5 mmHg at 124 °F (NTP, 1992)

物理化学的性質

融点
2 °C · 2 °C(lit.)
沸点
267 °C · 267 °C(lit.)
比重(密度)
1.19 g/mL · 1.19 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.5637(lit.)
闪点
230 °F · >230 °F
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性brown liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Reactive GroupAlcohols and Polyols
Reactivity Profile · 1 件

A nitrated alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

wgk
3
tsca
TSCA listed
rtecs
SG8601000
毒性
mic-sat 3333 mLg/plate EMMUEG 19(Suppl 21),2,1992
hs_code
29062990
hazard_code
Xi

化学と産業

用途と製造

General Manufacturing Information · 2 件

Benzeneethanol, 2-nitro-: INACTIVE

Benzeneethanol, ar-nitro-: INACTIVE

応用分野

使用2-Nitrophenethyl alcohol was used in the synthesis of indoles.

一般的な説明Needles dark brown liquid.

サプライヤー50 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]

関連反応

33 件

関連ノート

読み込み中…