Benzoic acid, 2,4-difluoro-, ethyl ester

HCID 2737170

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 108928-00-3
표준 SMILES: CCOC(=O)c1ccc(F)cc1F
InChIKey: OPQFYGPAOVCNEQ-UHFFFAOYSA-N
분자식: C9H8F2O2
평균 분자량: 186.15 g/mol
단동위원소 질량: 186.04923594

이름 및 식별자

우선 이름: Benzoic acid, 2,4-difluoro-, ethyl ester
IUPAC: ethyl 2,4-difluorobenzoate
영어명: ETHYL 2,4-DIFLUOROBENZOATE
분자식: C9H8F2O2
분자량: 186.16

이름 및 동의어

ethyl 2,4-difluorobenzoate108928-00-3Benzoic acid, 2,4-difluoro-, ethyl esterDTXSID60371889RefChem:118296DTXCID10322922600-886-42,4-Difluorobenzoic Acid Ethyl EsterMFCD00153149ETHYL2,4-DIFLUOROBENZOATE2,4-difluoro-benzoic acid ethyl esterethyl-2,4-difluorobenzoate

이름 더 보기

RARECHEM AL BI 0213Ethyl2,4-Difluorobenzoate>Ethyl2,4-difluorobenzoate97%Ethyl 2,4-difluorobenzoate 97%C9H8F2O2 2,4-Difluorobenzoic acid ethyl ester

ethyl 2,4-di-fluorobenzoateSCHEMBL367075SBB064610AKOS0089483242,4-Difluorobenzoic acid, ethyl esterCS-W023088FD70386PS-8474

데이터베이스 식별자

CAS: 108928-00-3
PubChem CID: 2737170
DTXSID: DTXSID60371889
EC Number: 600-886-4
Nikkaji: J3.782.345G

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 184

물리화학적 성질

녹는점: 65 °C · 65 °C
끓는 점: 65 °C · 65 °C
밀도: 1.222 · 1.222
굴절률: 1.473 · 1.4730-1.4770
인화점: 65 · 65-67°C/15mm
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Light orange to Yellow to Green
InChI: InChI=1S/C9H8F2O2/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3
InChIKey: OPQFYGPAOVCNEQ-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C1=CC=C(F)C=C1F
EPA: 2 · Benzoic acid, 2,4-difluoro-, ethyl ester (108928-00-3)

화학적 성질

White to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.