5-Amino-1-naphthol

1-AMINO-5-HYDROXYNAPHTHALENE · 5,1-ANL · C.I. 76650 · 5-Amino-1-phthol · 1-AMINO-5-NAPHTHOL · 5-AMINO-1-NAPHTHOL · 5-Amino-1-naphtho1 · 1-Naphthol, 5-amino-

https://huagongshe.com/ko/chemical/65746

식별자 및 물리적 특성

CAS No.	83-55-6
분자식	C10H9NO
평균 분자량	159.18 g/mol
단동위원소 질량	159.06841391 g/mol
SMILES	Nc1cccc2c(O)cccc12
InChIKey	ZBIBQNVRTVLOHQ-UHFFFAOYSA-N
PubChem CID	65746
ChEMBL	CHEMBL1852875
EC No.	201-486-9
DTXSID	DTXSID1058894

화학 및 물리적 성질

XLogP	1.5
극성 표면적	46.3
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	12
형식 전하	0
복잡도	160
녹는점	190 °C (dec.) (lit.)
끓는 점	284.68°C (rough estimate)
밀도	1.1202 (rough estimate)
굴절률	1.6070 (estimate)
저장 조건	-20°C Freezer
용해도	DMSO(약간 용해됨), 메탄올(약간 용해됨)
pKa(산도 계수)	3.97(at 25℃)
물리적 상태	고체
색상	밝은 보라색에서 보라색까지
InChI	InChI=1S/C10H9NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6,12H,11H2
InChIKey	ZBIBQNVRTVLOHQ-UHFFFAOYSA-N
SMILES	C1(O)=C2C(C(N)=CC=C2)=CC=C1
NIST	5-Amino-1-naphthol(83-55-6)
EPA	1-Naphthalenol, 5-amino- (83-55-6)

화학적 성질

pale purple to brown-purple crystalline powder

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (96.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (96.4%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29222990
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-37/39
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

제조 및 합성 방법

제조 방법

1-Aminonaphthalene-5-sulfonic acid paste (Section 6.2) is added to molten sodium hydroxide at 200°C, and the reaction is completed by heating slowly to 250°C and maintaining this temperature for 3 h. After dilution and careful neutralization with hydrochloric acid, 5-amino-1-naphthol precipitates in 85 % yield (mp 192°C).