5,6,7,8-테트라하이드로-1-나프톨

5,6,7,8-Tetrahydro-1-naphthol

HCID 68258CAS 529-35-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Oc1cccc2c1CCCC2
InChIKey: SCWNNOCLLOHZIG-UHFFFAOYSA-N
분자식: C10H12O
평균 분자량: 148.2 g/mol
단동위원소 질량: 148.088815

개요

5,6,7,8-tetrahydro-1-naphthol is 1-naphthol hydrogenated at C-5, -6, -7 and -8.

이름 및 식별자

우선 이름: 5,6,7,8-Tetrahydro-1-naphthol
IUPAC: 5,6,7,8-tetrahydronaphthalen-1-ol
현지명: 5,6,7,8-테트라하이드로-1-나프톨
영어명: 5,6,7,8-TETRAHYDRO-1-NAPHTHOL
분자식: C10H12O
분자량: 148.2

이름 및 동의어

5,6,7,8-Tetrahydro-1-naphthol5,6,7,8-tetrahydronaphthalen-1-ol5-Hydroxytetralintetralin-5-ol1-Naphthalenol, 5,6,7,8-tetrahydro-5,6,7,8-Tetrahydro-1-naphthalenol5,6,7,8-tetrahydronaphtholUNII-1R7B5I98HV1R7B5I98HV1,2,3,4-Tetrahydro-5-hydroxynaphthalene1-hydroxy-5,6,7,8-tetrahydronaphthalene1,2,3,4-tetrahydro-5-naphthol

이름 더 보기

5,6,7,8-테트라하이드로-1-나프톨AC-알파-테트라롤Tetrahydro-alpha-naphthol5,6,7,8-TETRAHYDRO-1-NAPTHOL

EINECS 208-461-1NSC 28822NSC-28822DTXSID8074570CHEBI:459005,6,7,8-TetrahydronaphthalenolNaphthalenol, 5,6,7,8-tetrahydro-5,6,7,8-TETRAHYDRO-1-HYDROXYNAPHTHALENE

데이터베이스 식별자

CAS: 529-35-1
PubChem CID: 68258
DTXSID: DTXSID8074570
ChEMBL: CHEMBL449132
ChEBI: CHEBI:45900
UNII: 1R7B5I98HV
EC Number: 208-461-1
Nikkaji: J6.685K

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 133

실험 및 물리화학적 성질

SpringerMaterials PropertiesSurface tension

물리화학적 성질

녹는점: 69 · 69-71 °C(lit.)
끓는 점: 264 · 264-265 °C705 mm Hg(lit.)
밀도: 1.0556 · 1.0556
굴절률: 1.5 · 1.5000 (estimate)
인화점: 264 · 264-265°C/705mm
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 1 · pK1:10.28 (25°C)
색상: 미색에서 옅은 오렌지색까지
BRN: 1865081 · 1865081
InChI: InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2
InChIKey: SCWNNOCLLOHZIG-UHFFFAOYSA-N
SMILES: C1(O)=C2C(CCCC2)=CC=C1
EPA: 1 · 1-Naphthalenol, 5,6,7,8-tetrahydro- (529-35-1)

화학적 성질

white to slightly pink crystalline mass or

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 135 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 1-Naphthalenol, 5,6,7,8-tetrahydro-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29071990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1-Naphthalenol, 5,6,7,8-tetrahydro-: ACTIVE

응용 분야 · 1건

용도5,6,7,8-Tetrahydro-1-naphthalenol was used as a reagent in the synthesis of phosphonamidate and phosphonodiamidate prodrugs of adefovir and tenofovir which are used in the treatment of HIV infections. Also used in the synthesis of tetrahydronaphthalene-1-ol derivatives which were found to be promising potent antitumor agents.