CAS 7474-97-7 1-Hydroxy-4-naphthoic acid (HCID 344291)

기본 정보

CAS: 7474-97-7
표준 SMILES: O=C(O)c1ccc(O)c2ccccc12
InChIKey: PSAGPCOTGOTBQB-UHFFFAOYSA-N
분자식: C11H8O3
평균 분자량: 188.18 g/mol
단동위원소 질량: 188.04734412

이름 및 식별자

우선 이름: 1-Hydroxy-4-naphthoic acid
IUPAC: 4-hydroxynaphthalene-1-carboxylic acid
현지명: 4-하이드록시-1-나프토산
영어명: 4-Hydroxy-1-naphthoic acid
분자식: C11H8O3
분자량: 188.18

이름 및 동의어

4-Hydroxy-1-naphthoic acid7474-97-71-Naphthalenecarboxylic acid, 4-hydroxy-1-hydroxy-4-naphthoic acidNSC-401125OO8UA94R911-Hydroxy-4-naphthalenecarboxylic acidUNII-OO8UA94R91DTXSID10322381RefChem:197046DTXCID502735004-hydroxynaphthalene-1-carboxylic acid

이름 더 보기

4-하이드록시-1-나프토산4-Hydroxy-naphthalene-1-carboxylic acid1-Naphthalenecarboxylicacid, 4-hydroxy-

MFCD00094167NSC401125p-hydroxynaphthoic acid4-hydroxynaphthoic acid4-hydroxy-1-naphthoicacidSCHEMBL678559SCHEMBL29497936PSAGPCOTGOTBQB-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 7474-97-7
PubChem CID: 344291
DTXSID: DTXSID10322381
UNII: OO8UA94R91
Nikkaji: J167.276B

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 227

물리화학적 성질

녹는점: 183 · 183-184 °C
끓는 점: 442.2 · 442.2±28.0 °C(Predicted)
밀도: 1.399 · 1.399±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): 4.34 · 4.34±0.10(Predicted)

화학적 성질 · 1건

4-Hydroxy-1-naphthoic acid [7474-97-7], mp 188 – 189℃, is synthesized by potassium hydroxide fusion (200 C) of 4-sulfo-1- naphthoic acid or 4-cyanonaphthalene-1-sulfonic acid (from 1-aminonaphthalene-4-sulfonic acid). It undergoes decarboxylation with bromine, nitrous acid, or diazo salts to form the corresponding 4-derivative.