3-Fluorobenzylic alcohol (HCID 68008)

개요

3-fluorobenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol substituted by a fluoro group at position 3. It is a member of benzyl alcohols and a member of monofluorobenzenes.

이름 및 식별자

우선 이름: 3-Fluorobenzylic alcohol
IUPAC: (3-fluorophenyl)methanol
영어명: 3-Fluorobenzyl alcohol
분자식: C7H7FO
분자량: 126.13

이름 및 동의어

3-Fluorobenzyl alcohol456-47-3(3-Fluorophenyl)methanolm-Fluorobenzyl alcoholBenzenemethanol, 3-fluoro-3-Fluorobenzylic alcoholBenzyl alcohol, m-fluoro-RH5YXR9U9BNSC-158273EINECS 207-265-3NSC 158273CHEBI:156103

이름 더 보기

RARECHEM AL BD 00543-Fluorobenzyl alcohFLUOROBENZYL ALCOHOL3-FluorobenzenemethanolMETA-FLUOROBENZYLALCOHOL3-FluorobenzylAlcohol>3-Fluorobenzylalcohol,98%

DTXSID30196566RefChem:501949DTXCID70119057207-265-3InChI=1/C7H7FO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H3-FluorobenzylalcoholMFCD00004631UNII-RH5YXR9U9B

데이터베이스 식별자

CAS: 456-47-3
PubChem CID: 68008
DTXSID: DTXSID30196566
ChEBI: CHEBI:156103
UNII: RH5YXR9U9B
EC Number: 207-265-3
Nikkaji: J60D

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 85

물리화학적 성질

녹는점: 115 · 115-119 °C
끓는 점: 104 · 104-105 °C/22 mmHg (lit.)
밀도: 1.164 g/mL · 1.164 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.513(lit.)
인화점: 195 °F · 195 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 14.09 · 14.09±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.164 · 1.164
색상: 무색의
BRN: 2242511 · 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: 3 · Benzenemethanol, 3-fluoro-(456-47-3)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (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.

유해성 정보

Regulatory InformationBenzenemethanol, 3-fluoro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (20%)

안전 데이터

wgk: 3
HS 번호: 29062900
risk_code: 14-34-36/37
hazard_code: Xi,C
safety_code: 24/25-45-36/37/39-27-26
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도3-Fluorobenzyl alcohol was used as substrate to study pH dependence of aryl-alcohol oxidase activity.

일반 설명3-Fluorobenzyl alcohol undergoes acetylation reaction with acetic anhydride catalyzed by tribromo melamine to yield 3-fluorobenzyl acetate.

상·하류 제품 정보

상류 원료

플로로(3-)벤조일클로라이드 메틸3-플루오로벤조에이트 플로로벤질브로마이드 물 에틸알코올 3-Fluorophenylacetic acid 수소 플로로톨루엔(3-)3-Fluorobenzaldehyde

하류 제품

플로로벤질클로라이드 3-플루오로벤질아민 3-플루오르벤조니트릴 Methyl 5-fluoro-2-hydroxybenzoate 3-플루오로벤조익 산

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

山东普创医药科技有限公司18953403321 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

연결된 노트

불러오는 중…

3-Fluorobenzylic alcohol

기본 정보

개요