2,3-디플루오로-4-에톡시벤조산

4-Ethoxy-2,3-difluorobenzoic acid

HCID 2769400CAS 124728-45-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOc1ccc(C(=O)O)c(F)c1F
InChIKey: KMFHBAZUQFJVKK-UHFFFAOYSA-N
분자식: C9H8F2O3
평균 분자량: 202.15 g/mol
단동위원소 질량: 202.04415044

이름 및 식별자

우선 이름: 4-Ethoxy-2,3-difluorobenzoic acid
IUPAC: 4-ethoxy-2,3-difluorobenzoic acid
현지명: 2,3-디플루오로-4-에톡시벤조산
영어명: 2,3-DIFLUORO-4-ETHOXYBENZOIC ACID
분자식: C9H8F2O3
분자량: 202.16

이름 및 동의어

4-ethoxy-2,3-difluorobenzoic acid124728-45-62,3-Difluoro-4-ethoxybenzoic acid875664-49-6DTXSID10377710RefChem:522587DTXCID20328738630-101-0642-484-1Benzoic acid, 4-ethoxy-2,3-difluoro-MFCD02258849Benzoic acid, 4-ethoxy-2,3-difluoro- (9CI)

이름 더 보기

2,3-디플루오로-4-에톡시벤조산5-ethoxy-2,3-difluorobenzoic acidBenzoic acid, 5-ethoxy-2,3-difluoro-

4-Carboxy-2,3-difluorophenetole4-ethoxy-2,3-difluoro-benzoic Acid2,3-DIFLUORO-4-ETHOXYBENZOICACID4-Ethoxy-2,3-difluoro benzoic acidSCHEMBL7049764-ethoxy-2,3-difluorobenzoicacid4-Ethoxy-23-difluorobenzoic acidKMFHBAZUQFJVKK-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 124728-45-6、875664-49-6
PubChem CID: 2769400
DTXSID: DTXSID10377710
EC Number: 630-101-0、642-484-1

물성

구조 계산 물성

XLogP: 2
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 210

물리화학적 성질

끓는 점: 301.201 · 301.201±37.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.34 · 1.340±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
산도 계수 (pKa): 2.832 · 2.832±0.10(predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

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 7 reports by companies from 3 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.