플로로벤질알콜

4-플루오로벤질알코올 · 플로로벤질알콜 · 4-플루오로벤질 알코올 · (4-Fluorophenyl)methanol · NSC 63347 · RARECHEM AL BD 0076 · 4-Fluorobenzyl Alco · 4-Fluorobenzyl alcoh

https://huagongshe.com/ko/chemical/68022

식별자 및 물리적 특성

CAS No.	459-56-3
분자식	C7H7FO
평균 분자량	126.13 g/mol
단동위원소 질량	126.04809301 g/mol
SMILES	OCc1ccc(F)cc1
InChIKey	GEZMEIHVFSWOCA-UHFFFAOYSA-N
PubChem CID	68022
EC No.	207-292-0
DTXSID	DTXSID4075409
현지명	플로로벤질알콜

화학 및 물리적 성질

XLogP	1.4
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	9
형식 전하	0
복잡도	77
녹는점	23°C
끓는 점	204-206 °C
밀도	1.156 g/mL at 25 °C(lit.)
굴절률	n20/D 1.507(lit.)
인화점	194 °F
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
pKa(산도 계수)	14.29±0.10(Predicted)
물리적 상태	powder to lump to clear liquid
색상	White or Colorless to Light yellow
비중	1.156
용해도	물에 약간 용해됩니다.
BRN	1446930
InChI	1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKey	GEZMEIHVFSWOCA-UHFFFAOYSA-N
SMILES	OCc1ccc(F)cc1
NIST	4-Fluorobenzyl alcohol(459-56-3)
EPA	Benzenemethanol, 4-fluoro- (459-56-3)

화학적 성질

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.WarningH315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (83.3%): 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 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 6 reports by companies.There are 4 notifications provided by 5 of 6 reports by companies with hazard statement code(s).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 (83.3%)Eye Irrit. 2A (83.3%)STOT SE 3 (83.3%)
수질 위해 등급(WGK)	3
관세 코드	29062900
위험 문구(R)	14-34-36/37
위험 표시	Xi,C
안전 문구(S)	23-24/25-45-36/37/39-27-26
위험 등급	IRRITANT
저장 분류	10 - Combustible liquids

용도

4-Fluorobenzyl Alcohol has been used in the preparation of many compounds including amides.