CAS 50415-71-9 Methyl 4-fluoro-alpha-methylbenzeneacetate (HCID 11389760)

기본 정보

CAS: 50415-71-9
표준 SMILES: COC(=O)C(C)c1ccc(F)cc1
InChIKey: HRSNKYJSOMIHNH-UHFFFAOYSA-N
분자식: C10H11FO2
평균 분자량: 182.19 g/mol
단동위원소 질량: 182.07430775

이름 및 식별자

우선 이름: Methyl 4-fluoro-alpha-methylbenzeneacetate
IUPAC: methyl 2-(4-fluorophenyl)propanoate
현지명: 메틸2-(4-플루오로페닐)프로파노에이트
영어명: methyl 2-(4-fluorophenyl)propanoate
분자식: C10H11FO2
분자량: 182.19

이름 및 동의어

Methyl 2-(4-fluorophenyl)propanoate50415-71-9DTXSID201281726RefChem:816422DTXCID701712172Methyl 4-fluoro-alpha-methylbenzeneacetate972-332-2SCHEMBL2170797HRSNKYJSOMIHNH-UHFFFAOYSA-NMFCD16748924AKOS011681246Rac-methyl 2-(4-fluorophenyl)propanoate

이름 더 보기

메틸2-(4-플루오로페닐)프로파노에이트1,7-dimethoxyxanthoneBenzeneacetic acid, 4-fluoro-α-methyl-, methyl ester

DA-05407SY283207Methyl 4-fluoro-I+/--methylbenzeneacetateEN300-1138095Benzeneacetic acid, 4-fluoro-?-methyl-, methyl ester

데이터베이스 식별자

CAS: 50415-71-9
PubChem CID: 11389760
DTXSID: DTXSID201281726
EC Number: 972-332-2
Nikkaji: J1.201.294B

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 174

물리화학적 성질

끓는 점: 214.7 · 214.7±15.0 °C(Predicted)
밀도: 1.112 · 1.112±0.06 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, 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 2 reports by companies from 1 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.