4-히드록시벤즈아미드

4-Hydroxybenzamide

HCID 65052CAS 619-57-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(=O)c1ccc(O)cc1
InChIKey: QXSAKPUBHTZHKW-UHFFFAOYSA-N
분자식: C7H7NO2
평균 분자량: 137.14 g/mol
단동위원소 질량: 137.04767846

개요

P-Hydroxybenzamide is a member of benzamides.

이름 및 식별자

우선 이름: 4-Hydroxybenzamide
IUPAC: 4-hydroxybenzamide
현지명: 4-히드록시벤즈아미드
영어명: 4-Hydroxybenzamide
분자식: C7H7NO2
분자량: 137.14

이름 및 동의어

4-Hydroxybenzamide619-57-8p-HydroxybenzamideBenzamide, 4-hydroxy-9OU5YD093JDTXSID10210931NSC-524134RefChem:99273DTXCID40133422210-602-74-Hydroxy-benzamideMFCD00007997

이름 더 보기

4-히드록시벤즈아미드4-하이드록시벤즈아미드Benzamide,p-hydroxy-Benzamide,4-hydroxy-4-Hydroxybenzamide>4-HYDROXYBENZAMIDE 98%Tetracaine Impurity 474-HYDROXYBENZAMIDE, 97+%4-Hydroxybenzamide, 98+%4-Hydroxy-benzoesaeure-amid

41911-58-44-hydroxybenzene carboxamideCHEMBL123617P-HYDROXYBENZOIC ACID AMIDEBDBM50106201SY016463H0200EN300-18541

데이터베이스 식별자

CAS: 619-57-8
PubChem CID: 65052
DTXSID: DTXSID10210931
ChEMBL: CHEMBL123617
ChEBI: CHEBI:220253
UNII: 9OU5YD093J
EC Number: 210-602-7
Nikkaji: J94.905A

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 128

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

LogP0.33

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 161 · 161-162 °C (lit.)
끓는 점: 345.3 · 345.3±25.0 °C(Predicted)
밀도: 1.286 · 1.286±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 8.6 · 8.60±0.13(Predicted)
색상: White to Light yellow to Dark green
BRN: 1906921 · 1906921
InChI: InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
InChIKey: QXSAKPUBHTZHKW-UHFFFAOYSA-N
SMILES: C(N)(=O)C1=CC=C(O)C=C1

화학적 성질

White to off-white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 11.3% (6 of 53) of reports.

Warning

H315 (88.7%): 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 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.