3-(2-Fluorophenyl)propanoic acid

HCID 2063866

노트 반응

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기본 정보

CAS: 1643-26-1
표준 SMILES: O=C(O)CCc1ccccc1F
InChIKey: GUZLQEOSDXLCKX-UHFFFAOYSA-N
분자식: C9H9FO2
평균 분자량: 168.16 g/mol
단동위원소 질량: 168.05865769

이름 및 식별자

우선 이름: 3-(2-Fluorophenyl)propanoic acid
IUPAC: 3-(2-fluorophenyl)propanoic acid
영어명: 3-(2-Fluorophenyl)propionic acid
분자식: C9H9FO2
분자량: 168.16

이름 및 동의어

3-(2-fluorophenyl)propanoic acidRefChem:491041625-754-33-(2-Fluorophenyl)propionic acid1643-26-1Benzenepropanoic acid, 2-fluoro-MFCD013108202-Fluoro-benzenepropanoic acid3-(2-Fluoro-phenyl)-propionic acidSCHEMBL246473F9995-0946SCHEMBL1510252

이름 더 보기

AKOS BC-27012μ-FluorocinnamideTIMTEC-BB SBB010203ASINEX-REAG BAS 128203902-Fluorophenylpropionic acid2-fluorobenzenepropionic acid2-FLOURO PHENYL PROPIONICACID

SCHEMBL6964948SCHEMBL29444401DTXSID00366370ALBB-0232573- (2-fluorophenyl) propionic acidAB3822BBL025641SBB010203

데이터베이스 식별자

CAS: 1643-26-1
PubChem CID: 2063866
DTXSID: DTXSID00366370
EC Number: 625-754-3
Nikkaji: J2.123.014F

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

물리화학적 성질

녹는점: 74 · 74-78 °C
끓는 점: 273.7 · 273.7±15.0 °C(Predicted)
밀도: 1.222 · 1.222±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 4.65 · 4.65±0.10(Predicted)
InChI: 1S/C9H9FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKey: GUZLQEOSDXLCKX-UHFFFAOYSA-N
SMILES: OC(=O)CCc1ccccc1F

화학적 성질

Off-white solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 46 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 CategoriesAcute Tox. 4 (87%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 29163990
risk_code: 36/37/38-22
hazard_code: C,Xi,Xn
safety_code: 26-36/37/39
위험 등급: IRRITANT, CORROSIVE
위험 참고 사항: Corrosive
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

4-플루오로-1-인다나논

공급사100 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

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

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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

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