메틸3,5-디클로로-4-하이드록시벤조에이트

Methyl 3,5-dichloro-4-hydroxybenzoate

HCID 76856CAS 3337-59-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1cc(Cl)c(O)c(Cl)c1
InChIKey: UKMOOQFHBGTLAO-UHFFFAOYSA-N
분자식: C8H6Cl2O3
평균 분자량: 221.03 g/mol
단동위원소 질량: 219.96939941

개요

Methyl 3,5-dichloro-4-hydroxybenzoate is a 4-hydroxybenzoate ester.

이름 및 식별자

우선 이름: Methyl 3,5-dichloro-4-hydroxybenzoate
IUPAC: methyl 3,5-dichloro-4-hydroxybenzoate
현지명: 메틸3,5-디클로로-4-하이드록시벤조에이트
영어명: Methyl 3,5-dichloro-4-hydroxybenzoate
분자식: C8H6Cl2O3
분자량: 221.04

이름 및 동의어

Methyl 3,5-dichloro-4-hydroxybenzoate3337-59-5DTXSID20186991RefChem:814668DTXCID60109482222-074-53,5-dichloro-4-hydroxybenzoic acid methyl esterMFCD00016419Benzoic acid, 3,5-dichloro-4-hydroxy-, methyl esterMethyl 3,5-Dichloro-4-Hydroxylbenzoate3,5-dichloro-4-hydroxy benzoic acid methyl estermethyl 3,5dichloro-4-hydroxybenzoate

이름 더 보기

메틸3,5-디클로로-4-하이드록시벤조에이트AURORA 17218RARECHEM AL BF 0933LABOTEST-BB LT00455579METHYL-4-HYDROXY-3 5-DICHLOROBENZOATE4-HYDROXY-3,5-DICHLOROBENZOIC ACID METHYL ESTER4-HYDROXY-3,5-DICHLOROBENZOICACID METHYL ESTER 97%3 5-DICHLORO-4-HYDROXYBENZOICACID METHYL ESTER 97%

SY107577CS-0150846EN300-49254SR-01000509708-1benzoic acid, 3,5-dichloro-4-hydroxy-, methyl ester, hydrateEINECS 222-074-5Methyl3,5-dichloro-4-hydroxybenzoateF0903-7373

데이터베이스 식별자

CAS: 3337-59-5
PubChem CID: 76856
DTXSID: DTXSID20186991
ChEBI: CHEBI:218055
EC Number: 222-074-5
Nikkaji: J80.699D

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 186

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 122 · 122-125°C
끓는 점: 340.99 °C · 340.99°C (rough estimate)
밀도: 1.476 · 1.4760 (rough estimate)
굴절률: 1.48 · 1.4800 (estimate)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 5.43 · 5.43±0.23(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.