5,6,7,8-테트라하이드로-1-나프톨

5,6,7,8-테트라하이드로-1-나프톨 · AC-알파-테트라롤 · 5,6,7,8-Tetrahydronaphthalen-1-ol · 1-Naphthalenol, 5,6,7,8-tetrahydro- · tetralin-5-ol · 5-Hydroxytetralin · Tetrahydro-alpha-naphthol · 5,6,7,8-Tetrahydronaphthol

https://huagongshe.com/ko/chemical/68258

식별자 및 물리적 특성

CAS No.	529-35-1
분자식	C10H12O
평균 분자량	148.2 g/mol
단동위원소 질량	148.088815 g/mol
SMILES	Oc1cccc2c1CCCC2
InChIKey	SCWNNOCLLOHZIG-UHFFFAOYSA-N
PubChem CID	68258
ChEMBL	CHEMBL449132
ChEBI	CHEBI:45900
EC No.	208-461-1
DTXSID	DTXSID8074570
현지명	5,6,7,8-테트라하이드로-1-나프톨

화학 및 물리적 성질

XLogP	2.9
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	11
형식 전하	0
복잡도	133
SpringerMaterials Properties	Surface tension
녹는점	69-71 °C(lit.)
끓는 점	264-265 °C705 mm Hg(lit.)
밀도	1.0556
굴절률	1.5000 (estimate)
인화점	264-265°C/705mm
저장 조건	Inert atmosphere,Room Temperature
용해도	클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	pK1:10.28 (25°C)
색상	미색에서 옅은 오렌지색까지
BRN	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-Naphthalenol, 5,6,7,8-tetrahydro- (529-35-1)

화학적 성질

white to slightly pink crystalline mass or

안전 및 규제

GHS 분류	DangerH302 (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.
규제 정보	Chemical: 1-Naphthalenol, 5,6,7,8-tetrahydro-PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and Categories	Acute Tox. 4 (66.7%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29071990
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

5,6,7,8-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.