메틸3-클로로-4-하이드록시벤조에이트

Methyl 3-chloro-4-hydroxybenzoate

HCID 77580CAS 3964-57-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1ccc(O)c(Cl)c1
InChIKey: ZSBIMTDWIGWJPW-UHFFFAOYSA-N
분자식: C8H7ClO3
평균 분자량: 186.59 g/mol
단동위원소 질량: 186.00837176

이름 및 식별자

우선 이름: Methyl 3-chloro-4-hydroxybenzoate
IUPAC: methyl 3-chloro-4-hydroxybenzoate
현지명: 메틸3-클로로-4-하이드록시벤조에이트
영어명: Methyl 3-chloro-4-hydroxybenzoate
분자식: C8H7ClO3
분자량: 186.59

이름 및 동의어

Methyl 3-chloro-4-hydroxybenzoate3964-57-6Benzoic acid, 3-chloro-4-hydroxy-, methyl esterDTXSID90192746EINECS 223-573-0NSC 210795RefChem:157464DTXCID30115237223-573-0ZSBIMTDWIGWJPW-UHFFFAOYSA-N3-Chloro-4-hydroxybenzoic acid methyl esterMFCD00016418

이름 더 보기

메틸3-클로로-4-하이드록시벤조에이트RARECHEM AL BF 0232Methyl 3-chloro-4-hydroxybenzoatMETHYL-4-HYDROXY-3-CHLOROBENZOATE3-chloro-4-hydroxy-2-methylbenzoateMethyl 3-chloro-4-hydroxybenzoate-98%4-HYDROXY-3-CHLOROBENZOIC ACID METHYL ESTER4-HYDROXY-3-CHLOROBENZOIC ACID METHYL ESTER 97%

Methyl 3-chloro-4-hydroxy benzoatemethyl 3-chloro-4-hydroxy-benzoateAKOS007930285NSC-210795AC-71753-Chloro-4-hydroxy-benzoic acid methyl esterMETHYL3-CHLORO-4-HYDROXYBENZOATENSC210795

데이터베이스 식별자

CAS: 3964-57-6
PubChem CID: 77580
DTXSID: DTXSID90192746
UNII: X596AV9FDN
EC Number: 223-573-0
Nikkaji: J195.946H

물성

구조 계산 물성

XLogP: 2.3
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

녹는점: 108 · 108-110°C
끓는 점: 284.9 · 284.9±20.0 °C(Predicted)
밀도: 1.354 · 1.354±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 6.89 · 6.89±0.18(Predicted)
BRN: 2641291 · 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

GHS Classification · 4건

Warning

H302 (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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (14.3%)

안전 데이터

safety_code: 22-24/25

화학 및 산업

응용 분야

용도Methyl 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.