4-Aminophenethyl alcohol

HCID 66904CAS 104-10-9

기본 정보

표준 SMILES: Nc1ccc(CCO)cc1
InChIKey: QXHDYMUPPXAMPQ-UHFFFAOYSA-N
분자식: C8H11NO
평균 분자량: 137.18 g/mol
단동위원소 질량: 137.08406397

이름 및 식별자

우선 이름: 4-Aminophenethyl alcohol
IUPAC: 2-(4-aminophenyl)ethanol
영어명: 2-(4-Aminophenyl)ethanol
분자식: C8H11NO
분자량: 137.18

이름 및 동의어

2-(4-Aminophenyl)ethanol104-10-94-Aminophenethyl alcoholp-Aminophenethyl alcohol2-(p-Aminophenyl)ethanolBenzeneethanol, 4-amino-p-Aminophenylethanol4-(2-Hydroxyethyl)anilinep-(2-Hydroxyethyl)anilinePhenethyl alcohol, p-amino-Benzeneethanol, ar-amino-2-(4-Aminophenyl)ethyl Alcohol

이름 더 보기

AKOS BBS-000068932-(4-Aminophenyl)ethP-aminophenylenthanol4-Aminobenzeneethanol4-amino-benzeneethano4-AMINO-BENZENEETHAND4-Aminophenethlalcohol

Benzeneethanol, ar-aminoNSC 409780KVH9V2607FEINECS 203-174-8NSC-409780AI3-18010DTXSID70730662-(4-AMINOPHENYL)-1-ETHANOL

데이터베이스 식별자

CAS: 104-10-9、115341-06-5
PubChem CID: 66904
DTXSID: DTXSID7073066
UNII: KVH9V2607F
EC Number: 203-174-8
Nikkaji: J28.544G

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 87.3

물리화학적 성질

녹는점: 107 · 107-110 °C(lit.)
끓는 점: 255 °C · 255 °C
밀도: 1.063 · 1.0630 (rough estimate)
굴절률: 1.547 · 1.5470 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됩니다.
산도 계수 (pKa): 15.05 · 15.05±0.10(Predicted)
물리적 상태: 크리스탈
색상: 밝은 갈색에서 갈색까지
BRN: 907205 · 907205
InChI: InChI=1S/C8H11NO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6,9H2
InChIKey: QXHDYMUPPXAMPQ-UHFFFAOYSA-N
SMILES: C1(CCO)=CC=C(N)C=C1
EPA: p-Aminophenylethanol (104-10-9)

화학적 성질

LIGHT BROWN TO BROWN CRYSTALS

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29221990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
위험 등급: IRRITANT
F 고인화성물질: 10-23
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information · 2건

Benzeneethanol, 4-amino-: ACTIVE

Benzeneethanol, ar-amino-: INACTIVE

응용 분야

용도2-(4-Aminophenyl)ethanol is used as nonsymmetric monomer in the preparation of ordered [head-to-head (H-H) or tail-to-tail (T-T)] poly(amide-ester), in the synthesis of 4-aminostyrene and in functionalization of graphene nanoplatelets.