메틸3-클로로-4-하이드록시벤조에이트

메틸3-클로로-4-하이드록시벤조에이트 · RARECHEM AL BF 0232 · Methyl 3-chloro-4-hydroxybenzoat · Methyl 3-chloro-4-hydroxybenzoate · METHYL-4-HYDROXY-3-CHLOROBENZOATE · 3-chloro-4-hydroxy-2-methylbenzoate · Methyl 3-chloro-4-hydroxybenzoate-98% · 3-CHLORO-4-HYDROXYBENZOIC ACID METHYL ESTER

https://huagongshe.com/ko/chemical/77580

식별자 및 물리적 특성

CAS No.	3964-57-6
분자식	C8H7ClO3
평균 분자량	186.59 g/mol
단동위원소 질량	186.00837176 g/mol
SMILES	COC(=O)c1ccc(O)c(Cl)c1
InChIKey	ZSBIMTDWIGWJPW-UHFFFAOYSA-N
PubChem CID	77580
EC No.	223-573-0
DTXSID	DTXSID90192746
현지명	메틸3-클로로-4-하이드록시벤조에이트

화학 및 물리적 성질

XLogP	2.3
극성 표면적	46.5
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	12
형식 전하	0
복잡도	172
녹는점	108-110°C
끓는 점	284.9±20.0 °C(Predicted)
밀도	1.354±0.06 g/cm3(Predicted)
저장 조건	Sealed in dry,Room Temperature
pKa(산도 계수)	6.89±0.18(Predicted)
BRN	2641291
InChI	InChI=1S/C8H7ClO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
InChIKey	ZSBIMTDWIGWJPW-UHFFFAOYSA-N
SMILES	C(OC)(=O)C1=CC=C(O)C(Cl)=C1

안전 및 규제

GHS 분류	WarningH302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (14.3%)
안전 문구(S)	22-24/25

용도

Methyl 3-Chloro-4-hydroxybenzoate is a reagent in the preparation of alkylidene hydrazides as human glucagon receptor antagonists for the treatment of hyperglycemia and diabetes.