2-인단올

2-Indanol

HCID 77936CAS 4254-29-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OC1Cc2ccccc2C1
InChIKey: KMGCKSAIIHOKCX-UHFFFAOYSA-N
분자식: C9H10O
평균 분자량: 134.17 g/mol
단동위원소 질량: 134.07316494

개요

structure in first source

이름 및 식별자

우선 이름: 2-Indanol
IUPAC: 2,3-dihydro-1H-inden-2-ol
현지명: 2-인단올
영어명: 2-Indanol
분자식: C9H10O
분자량: 134.18

이름 및 동의어

2-Indanol4254-29-9Indan-2-olNSC-17485B77NA7SM29DTXSID30195332RefChem:790888DTXCID40117823224-230-82,3-dihydro-1H-inden-2-ol2-Hydroxyindane2-Hydroxyindan

이름 더 보기

2-인단올2-lndanolNSC 174852-indenol2-Indanole2-Indanol,99%2-INDANOL 99%

2-Hydroxyhydrindene1H-Inden-2-ol, 2,3-dihydro-MFCD000038002-Indanol, 99%NSC17485EINECS 224-230-8UNII-B77NA7SM29STR07439

데이터베이스 식별자

CAS: 4254-29-9
PubChem CID: 77936
DTXSID: DTXSID30195332
UNII: B77NA7SM29
EC Number: 224-230-8
Nikkaji: J113.865K

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

실험 및 물리화학적 성질

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesDielectric constant

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 68 · 68-71 °C (lit.)
끓는 점: 120 · 120-123 °C (12.0016 mmHg)
밀도: 0.854 · 0.8540 (rough estimate)
굴절률: 1.52 · 1.5200 (estimate)
인화점: 109 °C · 109 °C
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystaline
산도 계수 (pKa): 15.17 · 15.17±0.20(Predicted)
색상: 흰색에서 밝은 노란색
수용성: 6 g/L · 6g/L(20℃)
BRN: 1862567 · 1862567
InChI: InChI=1S/C9H10O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2
InChIKey: KMGCKSAIIHOKCX-UHFFFAOYSA-N
SMILES: C1C2=C(C=CC=C2)CC1O
NIST: 2 · 2-Indanol(4254-29-9)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 11.1% (1 of 9) of reports.

Warning

H302 (88.9%): 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)

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information1H-Inden-2-ol, 2,3-dihydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (88.9%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29062990
risk_code: 36/37/38-22-36
hazard_code: Xn,Xi
safety_code: 37/39-26-36/37/39-27-36
포장분류: III
위험 등급: 6.1(b)
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Indanamine metabolite.

일반 설명2-Indanol is stabilized by internal hydrogen bonding in its most stable form. The resonantly enhanced multiphoton ionization (REMPI) and zero kinetic energy (ZEKE) photoelectron spectroscopy of 2-indanol was studied.