Methyl 2-(3-fluoro-4-hydroxyphenyl)acetate

HCID 10797559

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 79280-92-5
표준 SMILES: COC(=O)Cc1ccc(O)c(F)c1
InChIKey: AXONPFSLAZILIE-UHFFFAOYSA-N
분자식: C9H9FO3
평균 분자량: 184.16 g/mol

이름 및 식별자

우선 이름: Methyl 2-(3-fluoro-4-hydroxyphenyl)acetate
IUPAC: methyl 2-(3-fluoro-4-hydroxyphenyl)acetate
영어명: methyl 2-(3-fluoro-4-hydroxyphenyl)acetate
분자식: C9H9FO3
분자량: 184.16

이름 및 동의어

79280-92-5methyl 2-(3-fluoro-4-hydroxyphenyl)acetateRefChem:813394860-552-0Methyl (3-fluoro-4-hydroxyphenyl)acetatemethyl 3-fluoro-4-hydroxyphenylacetateMFCD18399290(3-fluoro-4-hydroxy-phenyl)-acetic acid methyl esterMethyl 2-(3-fluoro-4-hydroxy-phenyl)acetateSCHEMBL926809SCHEMBL30154442AXONPFSLAZILIE-UHFFFAOYSA-N

이름 더 보기

Benzeneacetic acid, 3-fluoro-4-hydroxy-, methyl ester

EDA28092AKOS022641533AS-8594Methyl(3-fluoro-4-hydroxyphenyl)acetateDB-297739CS-0233022EN300-130147G31088

데이터베이스 식별자

CAS: 79280-92-5
PubChem CID: 10797559
EC Number: 860-552-0

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 184

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

끓는 점: 90 · 90-93 °C(Press: 13.3 Torr)
밀도: 1.271 · 1.271±0.06 g/cm3(Predicted)
산도 계수 (pKa): 8.51 · 8.51±0.18(Predicted)

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.