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

개요

2-Anilinoethanol is an aralkylamine.

이름 및 식별자

우선 이름: N-(2-Hydroxyethyl)aniline
IUPAC: 2-anilinoethanol
현지명: 2-아닐리노에탄올
영어명: 2-Anilinoethanol
분자식: C8H11NO
분자량: 137.18

이름 및 동의어

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

이름 더 보기

2-아닐리노에탄올N-페닐에탄올아민PEAPHENYLETHANOLAMINEN-HYDROXYETHYLANILINE2-anilino-ethanoemery5700WLN: Q2MR

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 79.3

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Ethanolamines

SpringerMaterials PropertiesBoiling point

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

물리화학적 성질

녹는점: -30 °C · -30 °C
끓는 점: 150 · 150-152 °C10 mm Hg(lit.)
밀도: 1.094 g/mL · 1.094 g/mL at 25 °C(lit.)
증기 밀도: 1 · >1 (vs air)
증기압: 0.01 mm · <0.01 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.578(lit.)
인화점: 230 °F · >230 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 4.5 g/L · 4.5g/L
산도 계수 (pKa): 14.39 · 14.39±0.10(Predicted)
물리적 상태: 투명한 액체
색상: Colorless to Red to Green
수소이온지수(pH): 10.2 · 10.2 (10g/l, H2O, 20℃)
폭발한계: 1 · 1-6.8%(V)
수용성: 53 g/L · 53 g/L (20 ºC)
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℃
NIST: 2 · Ethanol, 2-(phenylamino)-(122-98-5)
EPA: 2 · Ethanol, 2-(phenylamino)- (122-98-5)

화학적 성질

CLEAR YELLOW TO BROWN LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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 · 1건

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%)

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: KJ7175000
ridadr: UN 2810 6.1/PG 2
독성: LD50 orally in Rabbit: 2230 mg/kg LD50 dermal Rabbit 68 mg/kg
HS 번호: 29221990
risk_code: 24-41-48/20/21/22-36-R36-R24
hazard_code: T
safety_code: 26-36/37/39-45-28A-S45-S36/37/39-S28A-S26
포장분류: II
위험 등급: 6.1
자연 발화 온도: 410 °C DIN 51794
Hazard Classifications: Acute Tox. 2 DermalAcute Tox. 3 OralAquatic Chronic 2Eye Dam. 1STOT RE 2STOT SE 1
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

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

응용 분야

용도N-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.