3-Fluorophenylacetic acid (HCID 67617)

이름 및 식별자

우선 이름: 3-Fluorophenylacetic acid
IUPAC: 2-(3-fluorophenyl)acetic acid
영어명: 3-Fluorophenylacetic acid
분자식: C8H7FO2
분자량: 154.14

이름 및 동의어

3-Fluorophenylacetic acidBenzeneacetic acid, 3-fluoro-m-Fluorophenylacetic acid(m-Fluorophenyl)acetic acid3-Fluorophenlacetic acidEINECS 206-360-7NSC 88344DTXSID0059821RefChem:93968DTXCID4038633206-360-7YEAUYVGUXSZCFI-UHFFFAOYSA-N

이름 더 보기

RARECHEM AL BO 01213-FluorophenylaceticBetween the fluorine acid3-fluoro-benzeneaceticaci3-fluoro-benzeneacetic acid3-Fluorophenylaceticacid98%

331-25-92-(3-fluorophenyl)acetic acid(3-fluorophenyl)acetic acidAcetic acid, (m-fluorophenyl)-MFCD000043314CP7BU47LDNSC-883443-Fluorophenyl acetic acid

데이터베이스 식별자

CAS: 331-25-9
PubChem CID: 67617
DTXSID: DTXSID0059821
ChEMBL: CHEMBL136104
UNII: 4CP7BU47LD
EC Number: 206-360-7
Nikkaji: J193.761H

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 147

물리화학적 성질

녹는점: 42 · 42-44 °C (lit.)
끓는 점: 151 °C · 151 °C
밀도: 1.185 · 1.1850 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 4.1 · 4.10±0.10(Predicted)
색상: 흰색에서 거의 흰색
수용성: 클로로포름과 메탄올에 약간 용해됩니다. 물에 불용성.
BRN: 775898 · 775898
InChI: InChI=1S/C8H7FO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey: YEAUYVGUXSZCFI-UHFFFAOYSA-N
SMILES: C1(CC(O)=O)=CC=CC(F)=C1
NIST: M-fluorophenylacetic acid(331-25-9)
EPA: 3 · Benzeneacetic acid, 3-fluoro- (331-25-9)

화학적 성질

White to pale yellow or light beige crystalline

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (18.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory 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 48 reports by companies from 6 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (18.8%)；STOT SE 3 (16.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29163900
risk_code: 38-36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
위험 등급: IRRITANT
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzeneacetic acid, 3-fluoro-: INACTIVE

응용 분야

용도3-Fluorophenylacetic acid has been used as building block to synthesize the pentaamine and bis-heterocyclic libraries. It is also used as a medicine intermediates.

상·하류 제품 정보

상류 원료

하류 제품

3-플루오르벤조니트릴 3-Fluorophenylacetone Umbralisib (5-FLUORO-2-NITRO-PHENYL)-아세트산 3-Fluorobenzyl alcohol 4-(3-FLUORO-PHENYL)-3-OXO-BUTYRICACIDMETHYL에스테르 2-(3-플루오로페닐)-N-메톡시-N-메틸아세트아미드

공급사50 곳

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

연결된 노트

불러오는 중…

3-Fluorophenylacetic acid

기본 정보