4-하이드록시-7-메틸코마린

4-Hydroxy-7-methylcoumarin

HCID 54685307

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 18692-77-8
표준 SMILES: Cc1ccc2c(O)cc(=O)oc2c1
InChIKey: MHZZDYJKWIQMFN-UHFFFAOYSA-N
분자식: C10H8O3
평균 분자량: 176.17 g/mol
단동위원소 질량: 176.04734412

이름 및 식별자

우선 이름: 4-Hydroxy-7-methylcoumarin
IUPAC: 4-hydroxy-7-methylchromen-2-one
현지명: 4-하이드록시-7-메틸코마린
영어명: 4-HYDROXY-7-METHYLCOUMARIN
분자식: C10H8O3
분자량: 176.17

이름 및 동의어

4-Hydroxy-7-methylcoumarin4-hydroxy-7-methylchromen-2-oneRefChem:523926834-028-718692-77-84-hydroxy-7-methyl-2h-chromen-2-oneMFCD034123162H-1-Benzopyran-2-one,4-hydroxy-7-methyl-4-Hydroxy-7-methyl-2H-1-benzopyran-2-one4-Hydroxy-7-methy lcoumarinSCHEMBL757926AKOS024015262

이름 더 보기

4-하이드록시-7-메틸코마린2H-1-Benzopyran-2-one, 4-hydroxy-7-methyl-4-Hydroxy-7-methyl-2H-chromen-2-one, 4-Hydroxy-7-methyl-2-oxo-2H-chromene

SY130834CS-0182172T719964-Hydroxy-7-methyFT-0728179SCHEMBL31290721DTXSID307157564-hydroxy-7-methyl-chromen-2-one

데이터베이스 식별자

CAS: 18692-77-8
PubChem CID: 54685307
DTXSID: DTXSID30715756
EC Number: 834-028-7
Nikkaji: J1.009.587E

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 257

물리화학적 성질

녹는점: 216 · 216-217 °C
끓는 점: 363.3 · 363.3±42.0 °C(Predicted)
밀도: 1.372 · 1.372±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): 4.5 · 4.50±1.00(Predicted)
색상: White to Light yellow to Light orange
InChI: 1S/C10H8O3/c1-6-2-3-7-8(11)5-10(12)13-9(7)4-6/h2-5,11H,1H3
InChIKey: MHZZDYJKWIQMFN-UHFFFAOYSA-N
SMILES: Cc1ccc2C(O)=CC(=O)Oc2c1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 2 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 (50%)

안전 데이터

HS 번호: 2932209088
risk_code: 22
hazard_code: Xi,Xn
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Hydroxy-7-methylcoumarin was shown to inhibit tetradecanoylphorbol-13-acetate induced Epstein-Barr virus early antigen activation in serum of patients with nasopharyngeal carcinoma.