N-(2-Hydroxyethyl)aniline (HCID 31235)

概要

2-Anilinoethanol is an aralkylamine.

名称と識別子

優先名称: N-(2-Hydroxyethyl)aniline
IUPAC: 2-anilinoethanol
現地名: 2-アニリノエタノール
英語名: 2-Anilinoethanol
分子式: C8H11NO
分子量: 137.18

名称と別名

2-ANILINOETHANOL122-98-52-(Phenylamino)ethanolN-PhenylethanolamineN-(2-Hydroxyethyl)anilineEthanol, 2-(phenylamino)-beta-AnilinoethanolEthanol, 2-anilino-N-(2-Hydroxyethyl)phenylaminePhenyl ethanolamineBenzenamine, N-(2-hydroxyethyl)-Emery 5700

名称をさらに表示

2-アニリノエタノールN-(2-ヒドロキシエチル)アニリンN-ヒドロキシエチルアニリンエタノールアニリン2-アニリノエチルアルコールN-フェニルエタノールアミン2-(フェニルアミノ)エタノール2-フェニルアミノエタノールβ-アニリノエチルアルコールN-フェニル-2-アミノエタノール2‐アニリノエタノールPEAPHENYLETHANOLAMINEN-HYDROXYETHYLANILINE2-anilino-ethanoemery5700WLN: Q2MR

N-(beta-Hydroxyethyl)aniline630DL2N96BNSC-8393DTXSID8059550RefChem:85421DTXCID7033737204-588-12-(phenylamino)ethan-1-ol

データベース識別子

CAS: 122-98-5
PubChem CID: 31235
DTXSID: DTXSID8059550
ChEMBL: CHEMBL1908069
ChEBI: CHEBI:194595
UNII: 630DL2N96B
EC Number: 204-588-1
Nikkaji: J38.358I

物性

構造計算による物性

XLogP: 0.8
極性表面積: 32.3 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: 3
重原子数: 10
形式電荷: 0
複雑度: 79.3

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Ethanolamines

SpringerMaterials PropertiesBoiling point

Physical DescriptionMelting point =11 deg C; [ChemIDplus] Clear brown liquid; [Acros Organics MSDS]

物理化学的性質

融点: -30 °C · -30 °C
沸点: 150 · 150-152 °C10 mm Hg(lit.)
比重(密度): 1.094 g/mL · 1.094 g/mL at 25 °C(lit.)
蒸気密度: 1 · >1 (vs air)
蒸気圧: 0.01 mm · <0.01 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.578(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 4.5 g/リットル · 4.5g/リットル
酸解離定数(Pka): 14.39 · 14.39±0.10(Predicted)
外見: clear liquid
色: Colorless to Red to Green
PH: 10.2 · 10.2 (10g/l, H2O, 20℃)
爆発限界(explosive limit): 1 · 1-6.8%(V)
水溶解度: 53 g/L · 53g/L（20℃）
BRN: 774672 · 774672
InChI: 1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKey: MWGATWIBSKHFMR-UHFFFAOYSA-N
SMILES: OCCNc1ccccc1
LogP: 0.9 at · 0.9 at 23℃
CAS データベース: 122 · 122-98-5(CAS DataBase Reference)
NISTの化学物質情報: 2 · Ethanol, 2-(phenylamino)-(122-98-5)
EPAの化学物質情報: 2 · Ethanol, 2-(phenylamino)- (122-98-5)

化学的性質

化学的特性CLEAR YELLOW TO BROWN LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (80.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 221 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Ethanol, 2-(phenylamino)-

Status: Active Update: 15-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22800

2-Anilinoethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

A moderate to severe eye and mild skin irritant; Causes ataxia and coma in intravenous lethal-dose studies of rabbits; [RTECS] A severe skin and eye irritant; Highly toxic by skin absorption; [Acros Organics MSDS] See 2-Methylaminoethanol. See Phenylethanolamine.

Hazard Classes and CategoriesAcute Tox. 3 (80.1%)

安全データ

wgk: 1
tsca: TSCA listed
rtecs: KJ7175000
ridadr: UN 2810 6.1/PG 2
毒性: LD50 orally in Rabbit: 2230 mg/kg LD50 dermal Rabbit 68 mg/kg
hs_code: 29221990
risk_code: 24-41-48/20/21/22-36-R36-R24
化審法: (3)-152, (9)-54
消防法: 危-4-3-III
hazard_code: T
safety_code: 26-36/37/39-45-28A-S45-S36/37/39-S28A-S26
hazard_class: 6.1
packing_group: II
自然発火温度: 410 °C DIN 51794
Hazard Classifications: Acute Tox. 2 DermalAcute Tox. 3 OralAquatic Chronic 2Eye Dam. 1STOT RE 2STOT SE 1
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

用途と製造

General Manufacturing InformationEthanol, 2-(phenylamino)-: ACTIVE

応用分野

使用N-Phenylethanolamine is used as an intermediate for dyes and other organic compounds. Further, it is used as a substrate for human olfactory uridine 5'-diphospho-glucuronosyltransferase.