2-히드록시-5-메틸벤조페논

2-Hydroxy-5-methylbenzophenone

HCID 73851CAS 1470-57-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(O)c(C(=O)c2ccccc2)c1
InChIKey: OQERFUGURPLBQH-UHFFFAOYSA-N
분자식: C14H12O2
평균 분자량: 212.24 g/mol
단동위원소 질량: 212.08372962

이름 및 식별자

우선 이름: 2-Hydroxy-5-methylbenzophenone
IUPAC: (2-hydroxy-5-methylphenyl)-phenylmethanone
현지명: 2-히드록시-5-메틸벤조페논
영어명: 2-Hydroxy-5-methylbenzophenone
분자식: C14H12O2
분자량: 212.24

이름 및 동의어

2-Hydroxy-5-methylbenzophenone1470-57-12-Benzoyl-4-methylphenolMethanone, (2-hydroxy-5-methylphenyl)phenyl-5-Methyl-2-hydroxybenzophenoneDTXSID9047881NSC-296NSC 29685W615BMP7Benzophenone, 2-hydroxy-5-methyl-EINECS 216-002-1(2-Hydroxy-5-methylphenyl)phenylmethanone

이름 더 보기

2-히드록시-5-메틸벤조페논2-하이드록시-5-메틸벤조펜온RARECHEM FH 1L 00642- Hyroxy-5-methyl benzophenone2'-Hydroxy-5'-Methylbenzophenone2'-HYDROXY 5'-METHYL BENZOPHENONE2-Hydroxy-5-methylbenzophenone>2-Hydroxy-5-methylbenzophenone 99%

DTXCID5027857RefChem:473279216-002-1(2-hydroxy-5-methylphenyl)(phenyl)methanone(2-hydroxy-5-methylphenyl)-phenylmethanoneMFCD00002379NSC2962-Hydroxy-5-methylbenzophenone, 99%

데이터베이스 식별자

CAS: 1470-57-1
PubChem CID: 73851
DTXSID: DTXSID9047881
ChEMBL: CHEMBL25139
UNII: 85W615BMP7
EC Number: 216-002-1
Nikkaji: J206.675K

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 243

물리화학적 성질

녹는점: 83 · 83-85 °C (lit.)
끓는 점: 312.08 °C · 312.08°C (rough estimate)
밀도: 1.1035 · 1.1035 (rough estimate)
굴절률: 1.6 · 1.6000 (estimate)
산도 계수 (pKa): 8.24 · 8.24±0.43(Predicted)
물리적 상태: powder to crystal
색상: Light orange to Yellow to Green
InChI: 1S/C14H12O2/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9,15H,1H3
InChIKey: OQERFUGURPLBQH-UHFFFAOYSA-N
SMILES: Cc1ccc(O)c(c1)C(=O)c2ccccc2

화학적 성질

yellow 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 40 reports by companies from 3 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: 29145000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Hydroxy-5-methylbenzophenone is a general reagent used in the synthesis of anti-bacterial and anti-fungal agents.

제조 방법 · 1건

Preparation by condensation of benzotrichloride with p-cresol, in the presence of aluminium chloride in carbon disulfide for 2 h (75%). The 6,12-diphenyl-2,8-dimethyl-6,12-epoxy-6H,12H-dibenzo[b,f] dioxocin, an intermediate compound, was also formed under these conditions (29%). This “dioxocin”, by hydrolysis with concentrated sulfuric acid at r.t., gave the expected ketone (91%); in the presence of aqueous sodium hydroxide in a water bath for 4 h (33%) or in 32–40% aqueous sodium hydroxide at 70–80° (67%).