9-Anthracenemethanol (HCID 73848)

개요

structure given in first source

이름 및 식별자

우선 이름: 9-Anthracenemethanol
IUPAC: anthracen-9-ylmethanol
현지명: 9-안트라센메탄올
영어명: 9-Anthracenemethanol
분자식: C15H12O
분자량: 208.26

이름 및 동의어

9-Anthracenemethanol1468-95-79-(Hydroxymethyl)anthracene9-Hydroxymethylanthracene9-Anthrylcarbinol9-Anthrylmethanol9-MethylolanthraceneDTXSID10492212N7UVX2HLMNSC-241166DTXCID30290779-OHMA

이름 더 보기

9-안트라센메탄올9-안트라센메탄올(9-ANTHRACENEMETHANOL)9-AMAKOS B023870RARECHEM AL BD 0006ART-CHEM-BB B023870

RefChem:549181215-998-5anthracen-9-ylmethanol9-anthracene methanolAnthracene-9-carbinol9-HydroxymethylantraceneNSC 241166MFCD00001264

데이터베이스 식별자

CAS: 1468-95-7
PubChem CID: 73848
DTXSID: DTXSID1049221
ChEMBL: CHEMBL3188668
UNII: 2N7UVX2HLM
EC Number: 215-998-5
Nikkaji: J131G

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 216

실험 및 물리화학적 성질

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

LogP3.04

Vapor Pressure0.00000005 [mmHg]

Physical DescriptionYellow powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 162 · 162-164 °C(lit.)
끓는 점: 307.46 °C · 307.46°C (rough estimate)
밀도: 1.0459 · 1.0459 (rough estimate)
굴절률: 1.5361 · 1.5361 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 뜨거운 메탄올에 용해되며 매우 희미한 탁도를 나타냅니다.
산도 계수 (pKa): 14.36 · 14.36±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 노란색
BRN: 1873402 · 1873402
안정성: 안정적인. 산화제와 호환되지 않습니다.
InChI: 1S/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2
InChIKey: JCJNNHDZTLRSGN-UHFFFAOYSA-N
SMILES: OCc1c2ccccc2cc3ccccc13
NIST: 9 · 9-Anthracenemethanol(1468-95-7)
EPA: 9 · 9-Anthracenemethanol (1468-95-7)

화학적 성질

It is a colorless or light yellow solid that is soluble in ordinary organic solvents.

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.

Warning

H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

유해성 정보

Regulatory InformationStatus: Active Update: 21-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22743

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesSkin Irrit. 2 (40%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: CB0577500
독성: mic-bac-sat 390 mmol/L CRNGDP 15,2605,94
HS 번호: 29062900
risk_code: 20/21/22-36/37/38
safety_code: 24/25
기존화학 물질: 2011-3-4986
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information9-Anthracenemethanol: ACTIVE

응용 분야 · 2건

용도9-Anthracenemethanol can be used:As a starting material to prepare 9-anthracenylmethyl-1-piperazinecarboxylate, which acts as a reagent in the determination of isocyanates using HPLC.In the Diels-Alder reaction with dimethylacetylene-dicarboxylate to yield lactone derivatives.As an initiator in the ring-opening polymerization of δ-valerolactone to yield poly(δ-valerolactone).As a starting material in the synthesis of polymer-supported anthracene, which acts as a dienophile scavenger in cycloaddition reactions.

일반 설명9-Anthracenemethanol participates in ring-opening polymerization of L-lactide catalyzed by alumoxane. It undergoes proton exchange reaction with potassium tert-butoxide to yield potassium 9-anthracenemethoxide.