2-Benzyloxyphenol

2-(BENZYLOXY)PHENOL · 2-(phenylmethoxy)phenol · 2-Benzyloxy · 2-(Denzyloxy)phenol · o-(Benzyloxy)phenol · 2-Benzyloxyphenol,98% · Phenol, o-(benzyloxy)- · 2-(Benzyloxy)phenol 96%

https://huagongshe.com/ko/chemical/80459

식별자 및 물리적 특성

CAS No.	6272-38-4
분자식	C13H12O2
평균 분자량	200.23 g/mol
단동위원소 질량	200.08372962 g/mol
SMILES	Oc1ccccc1OCc1ccccc1
InChIKey	CCZCXFHJMKINPE-UHFFFAOYSA-N
PubChem CID	80459
ChEMBL	CHEMBL4442258
EC No.	228-461-5
DTXSID	DTXSID50211801

화학 및 물리적 성질

XLogP	2.7
극성 표면적	29.5
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	3
무거운 원자 수	15
형식 전하	0
복잡도	175
녹는점	35-40°C
끓는 점	215 °C / 20mmHg
밀도	1.143 g/mL at 25 °C (lit.)
굴절률	n20/D 1.591(lit.)
인화점	>230 °F
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
물리적 상태	액체
pKa(산도 계수)	9.65±0.30(Predicted)
색상	무색~담황색
용해도	알코올, 벤젠, 디에틸에테르에 용해됩니다. 물에 불용성.
InChI	1S/C13H12O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey	CCZCXFHJMKINPE-UHFFFAOYSA-N
SMILES	Oc1ccccc1OCc2ccccc2
NIST	Phenol, 2-(phenylmethoxy)-(6272-38-4)

화학적 성질

Clear colorless liquid

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 (97.7%): 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 44 reports by companies from 4 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 (97.7%)
수질 위해 등급(WGK)	1
관세 코드	29095000
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	10 - Combustible liquids

용도

2-Benzyloxyphenol is used in the synthesis of 2-(benzyloxy)hydroquinone and also used to prepare sequential polypeptides.It is used as reagent for synthesis of multidentate chelating ligands. It is also used in chemicals, pharmaceutical research and also acts a pharmaceutical intermediate.