Methyl 2-(3,5-difluorophenyl)acetate

HCID 22270748

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 210530-70-4
표준 SMILES: COC(=O)Cc1cc(F)cc(F)c1
InChIKey: YBJMEHGTPXJXHZ-UHFFFAOYSA-N
분자식: C9H8F2O2
평균 분자량: 186.15 g/mol

이름 및 식별자

우선 이름: Methyl 2-(3,5-difluorophenyl)acetate
IUPAC: methyl 2-(3,5-difluorophenyl)acetate
영어명: (3,5-Difluoro-phenyl)-acetic acid methyl ester
분자식: C9H8F2O2
분자량: 186.16

이름 및 동의어

Methyl 2-(3,5-difluorophenyl)acetate210530-70-4MFCD12025024(3,5-difluoro-phenyl)-acetic acid methyl ester3,5-Difluorobenzeneacetic acid methyl esterMethyl 3,5-difluorophenylacetateBenzeneacetic acid, 3,5-difluoro-, methyl esterMethyl (3,5-difluorophenyl)acetateSCHEMBL1115348Methyl 3,5-Difluorobenzeneacetatemethyl(3,5-difluorophenyl)acetateYBJMEHGTPXJXHZ-UHFFFAOYSA-N

이름 더 보기

Methyl2-(3,5-difluorophenyl)acetateAKOS006342863FS-5425s12237SY316805CS-0138579F094754

데이터베이스 식별자

CAS: 210530-70-4
PubChem CID: 22270748
EC Number: 642-853-7

물성

구조 계산 물성

XLogP: 1.9
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: 174

물리화학적 성질

끓는 점: 196.6 · 196.6±25.0 °C(Predicted)
밀도: 1.235 · 1.235±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2916399090

화학 및 산업

응용 분야 · 1건

용도(3,5-Difluoro-phenyl)acetic Acid Methyl Ester was studied for its usefulness as an antibiotic. It is also used as a reactant in the synthesis of diphenylurea derivatives for combating methicillin- and vancomycin-resistant Staphylococcus aureus.