2-하이드록시-5-메톡시벤즈알데하이드

2-Hydroxy-5-methoxybenzaldehyde

HCID 95695CAS 672-13-9

기본 정보

표준 SMILES: COc1ccc(O)c(C=O)c1
InChIKey: FZHSPPYCNDYIKD-UHFFFAOYSA-N
분자식: C8H8O3
평균 분자량: 152.15 g/mol
단동위원소 질량: 152.04734412

개요

5-methoxysalicylaldehyde is a member of the class of benzaldehydes carrying hydroxy and methoxy substituents at positions 2 and 5 respectively. It is a member of benzaldehydes, a monomethoxybenzene and a member of phenols. It is functionally related to a salicylaldehyde.

이름 및 식별자

우선 이름: 2-Hydroxy-5-methoxybenzaldehyde
IUPAC: 2-hydroxy-5-methoxybenzaldehyde
현지명: 2-하이드록시-5-메톡시벤즈알데하이드
영어명: 2-Hydroxy-5-methoxybenzaldehyde
분자식: C8H8O3
분자량: 152.15

이름 및 동의어

2-Hydroxy-5-methoxybenzaldehyde672-13-95-Methoxysalicylaldehydem-Anisaldehyde, 6-hydroxy-Benzaldehyde, 2-hydroxy-5-methoxy-2-Formyl-4-methoxyphenolGYT2Q9UR3WNSC-30116CHEBI:137359DTXSID40217478RefChem:87441DTXCID40139969

이름 더 보기

2-하이드록시-5-메톡시벤즈알데하이드6-HY6-hydroxy-m-anisaldehyd6-HYDROXY-3-ANISALDEHYDE4-Hydroxy-3-formylanisoleHydroxy-5-Methoxybenzaldeh

211-589-06-Hydroxy-m-anisaldehydeSalicylaldehyde, 5-methoxy-2-hydroxy-5-methoxy-benzaldehydeMFCD000033325-Methoxy-2-hydroxybenzaldehydeBRN 1100532Entacapone Impurity 64

데이터베이스 식별자

CAS: 672-13-9
PubChem CID: 95695
DTXSID: DTXSID40217478
ChEMBL: CHEMBL3660371
ChEBI: CHEBI:137359
UNII: GYT2Q9UR3W
EC Number: 211-589-0
Nikkaji: J1.722A

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 135

물리화학적 성질

녹는점: 4 °C · 4 °C (lit.)
끓는 점: 103 °C/2.5 · 103 °C/2.5 mmHg (lit.)
밀도: 1.219 g/mL · 1.219 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.578(lit.)
인화점: 230 °F · >230 °F
저장 조건: 30 °C · Store below +30°C.
물리적 상태: 액체
산도 계수 (pKa): 8.66 · 8.66±0.18(Predicted)
색상: 맑은 노란색
수용성: 클로로포름과 혼합 가능. 물과 약간 섞임.
BRN: 1100532 · 1100532
InChI: 1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3
InChIKey: FZHSPPYCNDYIKD-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cc(OC)ccc1O
LogP: 1.52 · 1.520 (est)
NIST: 2 · Benzaldehyde, 2-hydroxy-5-methoxy-(672-13-9)

화학적 성질

clear yellow liquid

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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
rtecs: BZ2800000
HS 번호: 29124900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
F 고인화성물질: 10-23
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도2-Hydroxy-5-methoxybenzaldehyde is employed to study electroantennogram response of the vine weevil (Otiorhynchus sulcatus F) to a broad range of volatile plant compounds. It plays an important role in the preparation of tetradentate Schiff base compounds. Further, it is used in the preparation 6-methoxy-3-nitro-2H-chromene by using dibutylamine as a reagent.

일반 설명2-Hydroxy-5-methoxybenzaldehyde has acaricidal activity against Tyrophagus putrescentiae.