크로몬-3-카르복실산

Chromone-3-carboxylic acid

HCID 181620

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 39079-62-4
표준 SMILES: O=C(O)c1coc2ccccc2c1=O
InChIKey: PCIITXGDSHXTSN-UHFFFAOYSA-N
분자식: C10H6O4
평균 분자량: 190.15 g/mol
단동위원소 질량: 190.02660867

개요

Chromone-3-carboxylic acid is a member of chromones.

이름 및 식별자

우선 이름: Chromone-3-carboxylic acid
IUPAC: 4-oxochromene-3-carboxylic acid
현지명: 크로몬-3-카르복실산
영어명: CHROMONE-3-CARBOXYLIC ACID
분자식: C10H6O4
분자량: 190.15

이름 및 동의어

Chromone-3-carboxylic acid39079-62-44-oxochromene-3-carboxylic acidDTXSID901923274H-Benzo(b)pyran-4-one, 3-carboxy-RefChem:577044DTXCID00114818670-382-74-oxo-4H-chromene-3-carboxylic acidMFCD000173384-Oxo-4H-1-benzopyran-3-carboxylic acid3-carboxychromone

이름 더 보기

크로몬-3-카르복실산BUTTPARK 29\06-38RARECHEM AL BO 05523-CHROMONECARBOXYLIC ACIDChromone-3-carboxilic acidchromone-3-carboxolic acidChromanone-3-carboxylicacidChromone-3-carboxylic acid,98%

CHROMONE-3-CARBOXYLICACID4H-1-Benzopyran-3-carboxylic acid, 4-oxo-CHEMBL315361SCHEMBL12536724-oxo-chromene-3-carboxylic acidChromone-3-carboxylic acid, 97%CS-W015906PD182299

데이터베이스 식별자

CAS: 39079-62-4
PubChem CID: 181620
DTXSID: DTXSID90192327
ChEMBL: CHEMBL315361
ChEBI: CHEBI:166522
UNII: HKW8G9Q7D4
EC Number: 670-382-7
Nikkaji: J839.505E

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 305

물리화학적 성질

녹는점: 202 · 202-205 °C (lit.)
끓는 점: 245.64 °C · 245.64°C (rough estimate)
밀도: 1.493 · 1.493
굴절률: 1.444 · 1.4440 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 2.55 · 2.55±0.20(Predicted)
색상: 옅은 노랑
BRN: 1074111 · 1074111
InChI: InChI=1S/C10H6O4/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-5H,(H,12,13)
InChIKey: PCIITXGDSHXTSN-UHFFFAOYSA-N
SMILES: C1OC2=CC=CC=C2C(=O)C=1C(O)=O

화학적 성질

light beige crystalline powder

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 5 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2916399090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-36
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Chromone-3-carboxylic acid may be used in the preparation of:chromane-2,4-dioneschromone-3-carboxamides5-(2-hydroxyphenyl)isoxazolechromone-2-carboxamideschromone-2-carboxamido-3-esters

일반 설명Chromone-3-carboxylic acid is a chromone derivative. Its potential as an antioxidant in charge transfer (CT) processes has been assessed by surface-enhanced Raman scattering (SERS) analysis of chromone 3-carboxylic acid adsorbed on silver colloids.