4-포밀-3-하이드록시벤조산

4-Formyl-3-hydroxybenzoic acid

HCID 317508

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 619-12-5
표준 SMILES: O=Cc1ccc(C(=O)O)cc1O
InChIKey: FDDHFCWYCKQKGY-UHFFFAOYSA-N
분자식: C8H6O4
평균 분자량: 166.13 g/mol
단동위원소 질량: 166.02660867

이름 및 식별자

우선 이름: 4-Formyl-3-hydroxybenzoic acid
IUPAC: 4-formyl-3-hydroxybenzoic acid
현지명: 4-포밀-3-하이드록시벤조산
영어명: 4-FORMYL-3-HYDROXYBENZOIC ACID
분자식: C8H6O4
분자량: 166.13

이름 및 동의어

4-Formyl-3-hydroxybenzoic acid619-12-5DTXSID90312083RefChem:99056DTXCID30263207627-346-0MFCD05865188Benzoic acid, 4-formyl-3-hydroxy-4-Formyl-3-hydroxybenzoicacidSCHEMBL850871B2G99FL7M44-Formyl 3-hydroxybenzoic acid

이름 더 보기

4-포밀-3-하이드록시벤조산4-CARBOXYSALICYALDEHYDE3-Hydroxy-4-formylbenzoic acid4-Formyl-3-hydroxybenzoic acid 97%3-hydroxy-4-methanoyl-benzoic acid

GEO-01436NSC-249767TS-7250SY010280TEREPHTHALALDEHYDIC ACID, 3-HYDROXY-Z12553654294-methanoyl-3-oxidanyl-benzoic acidNSC249767

데이터베이스 식별자

CAS: 619-12-5
PubChem CID: 317508
DTXSID: DTXSID90312083
UNII: B2G99FL7M4
EC Number: 627-346-0
Nikkaji: J95.031I

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 74.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 189

물리화학적 성질

녹는점: 235 · 235-240 °C (lit.)
끓는 점: 214.32 °C · 214.32°C (rough estimate)
밀도: 1.2208 · 1.2208 (rough estimate)
굴절률: 1.4611 · 1.4611 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 3.66 · 3.66±0.10(Predicted)
InChI: InChI=1S/C8H6O4/c9-4-6-2-1-5(8(11)12)3-7(6)10/h1-4,10H,(H,11,12)
InChIKey: FDDHFCWYCKQKGY-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(C=O)C(O)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 2
HS 번호: 2918999090
risk_code: 22-36/38-43
hazard_code: Xn
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-Formyl-3-hydroxybenzoic acid can be used as a reactant to prepare: A pH-sensitive fluorescent probe 4,4′-(hydrazine-1,2-diylidene bis(methanylylidene)) bis(3-hydroxybenzoic acid (HDBB) by one-step condensation reaction with hydrazine.2-Oxo-2H-1-benzopyran-3,7-dicarboxylic acid by condensation reaction with diethyl malonate. Schiff base ligands for the preparation of stable and functional Schiff base metal complexes.