6-벤조일-2-나프톨

6-벤조일-2-나프톨 · 6-BENZOYL-2-NAPHTHOL · 6-BENZOYL-2-NAPHTHOL 98% · 6-Benzoylnaphthalene-2-ol · 6-BENZOYL-2-NAPHTHOL, 98+% · Naphthalene, 2-hydroxy-6-benzoyl- · ketone,6-hydroxy-2-naphthylphenyl · Phenyl(6-hydroxy-2-naphtyl) ketone

https://huagongshe.com/ko/chemical/93271

식별자 및 물리적 특성

CAS No.	52222-87-4
분자식	C17H12O2
평균 분자량	248.27 g/mol
단동위원소 질량	248.08372962 g/mol
SMILES	O=C(c1ccccc1)c1ccc2cc(O)ccc2c1
InChIKey	MJKZGSBXCWNUHV-UHFFFAOYSA-N
PubChem CID	93271
ChEMBL	CHEMBL1496592
EC No.	257-755-6
DTXSID	DTXSID30200273
현지명	6-벤조일-2-나프톨

화학 및 물리적 성질

XLogP	4.2
극성 표면적	37.3
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	19
형식 전하	0
복잡도	319
녹는점	161-162 °C (lit.)
끓는 점	351.35°C (rough estimate)
밀도	1.1290 (rough estimate)
굴절률	1.6000 (estimate)
용해도	에탄올: 용해성50mg/mL
pKa(산도 계수)	8.77±0.40(Predicted)
InChI	1S/C17H12O2/c18-16-9-8-13-10-15(7-6-14(13)11-16)17(19)12-4-2-1-3-5-12/h1-11,18H
InChIKey	MJKZGSBXCWNUHV-UHFFFAOYSA-N
SMILES	Oc1ccc2cc(ccc2c1)C(=O)c3ccccc3

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 (100%): 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 39 reports by companies from 2 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 (100%)
수질 위해 등급(WGK)	3
RTECS 번호	OB4360000
독성	otr-ham:kdy 80 mg/L BJCAAI 37,873,78
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

6-Benzoyl-2-naphthol was used in the synthesis of potassium 6-benzoyl-2-naphthyl sulfate, substrate for histochemical investigation of aryl sulfatase activity. It was also used in preparation of substrate for histochemical demonstration of acid phosphatase in the organs of albino rat.