CAS 104253-44-3 2-Chloro-4-hydroxy-benzoic acid methyl ester (HCID 13498830)

기본 정보

CAS: 104253-44-3
표준 SMILES: COC(=O)c1ccc(O)cc1Cl
InChIKey: BJZFMXJQJZUATE-UHFFFAOYSA-N
분자식: C8H7ClO3
평균 분자량: 186.59 g/mol
단동위원소 질량: 186.00837176

이름 및 식별자

우선 이름: 2-Chloro-4-hydroxy-benzoic acid methyl ester
IUPAC: methyl 2-chloro-4-hydroxybenzoate
현지명: 2-클로로-4-하이드록시-벤조산메틸에스테르
영어명: 2-Chloro-4-hydroxy-benzoic acid methyl ester
분자식: C8H7ClO3
분자량: 186.59

이름 및 동의어

2-Chloro-4-hydroxy-benzoic acid methyl esterRefChem:469006830-416-5Methyl 2-chloro-4-hydroxybenzoate104253-44-32-chloro-4-hydroxybenzoic acid methyl esterMFCD04117954Methyl2-Chloro-4-hydroxybenzoateBenzoic acid,2-chloro-4-hydroxy-, methyl esterBenzoic acid, 2-chloro-4-hydroxy-, methyl esterSCHEMBL730895Benzoic acid, 2-chloro-4-hy

이름 더 보기

2-클로로-4-하이드록시-벤조산메틸에스테르RARECHEM AL BF 07172-Chloro-4-hydroxy-benzoic acid methyl ester≥ 99% (GC)

DTXSID00542278BJZFMXJQJZUATE-UHFFFAOYSA-Nmethyl 4-hydroxy-2-chlorobenzoateAKOS006291873CS-W018652FC70262FS-3658SY033509

데이터베이스 식별자

CAS: 104253-44-3
PubChem CID: 13498830
DTXSID: DTXSID00542278
EC Number: 830-416-5

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

끓는 점: 298.3 · 298.3±20.0 °C(Predicted)
밀도: 1.354 · 1.354±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 7.39 · 7.39±0.18(Predicted)

화학적 성질

Tan crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.