3-Fluorobenzylic alcohol

(3-Fluorophenyl)methanol · RARECHEM AL BD 0054 · 3-Fluorobenzyl alcoh · FLUOROBENZYL ALCOHOL · 3-FLUOROBENZYL ALCOHOL · M-FLUOROBENZYL ALCOHOL · 3-Fluorobenzenemethanol · META-FLUOROBENZYLALCOHOL

https://huagongshe.com/ko/chemical/68008

식별자 및 물리적 특성

CAS No.	456-47-3
분자식	C7H7FO
평균 분자량	126.13 g/mol
단동위원소 질량	126.04809306 g/mol
SMILES	OCc1cccc(F)c1
InChIKey	QDHRSLFSDGCJFX-UHFFFAOYSA-N
PubChem CID	68008
ChEBI	CHEBI:156103
EC No.	207-265-3
DTXSID	DTXSID30196566

화학 및 물리적 성질

XLogP	1.5
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	85
녹는점	115-119 °C
끓는 점	104-105 °C/22 mmHg (lit.)
밀도	1.164 g/mL at 25 °C (lit.)
굴절률	n20/D 1.513(lit.)
인화점	195 °F
저장 조건	Sealed in dry,Room Temperature
용해도	클로로포름(약간 용해됨), 메탄올(약간 용해됨)
pKa(산도 계수)	14.09±0.10(Predicted)
물리적 상태	액체
비중	1.164
색상	무색의
BRN	2242511
InChI	1S/C7H7FO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKey	QDHRSLFSDGCJFX-UHFFFAOYSA-N
SMILES	OCc1cccc(F)c1
NIST	Benzenemethanol, 3-fluoro-(456-47-3)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류	WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Benzenemethanol, 3-fluoro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 4 (20%)
수질 위해 등급(WGK)	3
관세 코드	29062900
위험 문구(R)	14-34-36/37
위험 표시	Xi,C
안전 문구(S)	24/25-45-36/37/39-27-26
위험 등급	IRRITANT
저장 분류	10 - Combustible liquids

용도

3-Fluorobenzyl alcohol was used as substrate to study pH dependence of aryl-alcohol oxidase activity.

일반 설명

3-Fluorobenzyl alcohol undergoes acetylation reaction with acetic anhydride catalyzed by tribromo melamine to yield 3-fluorobenzyl acetate.