2,2'-디히드록시벤조페논

2,2'-Dihydroxybenzophenone

HCID 70038CAS 835-11-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(c1ccccc1O)c1ccccc1O
InChIKey: YIYBRXKMQFDHSM-UHFFFAOYSA-N
분자식: C13H10O3
평균 분자량: 214.22 g/mol
단동위원소 질량: 214.06299418

개요

2,2'-Dihydroxybenzophenone is a member of benzophenones.

이름 및 식별자

우선 이름: 2,2'-Dihydroxybenzophenone
IUPAC: bis(2-hydroxyphenyl)methanone
현지명: 2,2'-디히드록시벤조페논
영어명: 2,2'-Dihydroxybenzophenone
분자식: C13H10O3
분자량: 214.22

이름 및 동의어

2,2'-Dihydroxybenzophenone835-11-0Methanone, bis(2-hydroxyphenyl)-Benzophenone, 2,2'-dihydroxy-DTXSID8022404EINECS 212-639-4ET2N90CP6CC14284bis(2-hydroxyphenyl) ketoneJ133.560JDTXCID602404RefChem:440274

이름 더 보기

2,2'-디히드록시벤조페논AURORA KA-4852,2'-Dihydroxybenzophenone >2,2'-Dihydroxybenzophenone 98%Methanone,bis(2-hydroxyphenyl)-Bis-(2-hydroxy-phenyl)-methanone2,2'-dihydroxydibenzenemethylone

212-639-4'2,2'-dihydroxybenzophenoneBis(2-hydroxyphenyl)methanone2,2-DIHYDROXYBENZOPHENONE2,2'-dihydroxy benzophenoneMFCD000022172-(2-hydroxybenzoyl)phenol22'-Dihydroxybenzophenone

데이터베이스 식별자

CAS: 835-11-0
PubChem CID: 70038
DTXSID: DTXSID8022404
ChEMBL: CHEMBL124241
ChEBI: CHEBI:34209
UNII: ET2N90CP6C
EC Number: 212-639-4
Nikkaji: J133.560J

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 228

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

LogP2.66

물리화학적 성질

녹는점: 61 · 61-62.5 °C(lit.)
끓는 점: 333 °C · 333°C (estimate)
밀도: 1.1956 · 1.1956 (rough estimate)
굴절률: 1.509 · 1.5090 (estimate)
저장 조건: RT, stored under nitrogen
용해도: almost transparency in Methanol
물리적 상태: powder to crystal
산도 계수 (pKa): 7.32 · 7.32±0.30(Predicted)
색상: Light yellow to Yellow to Green
InChI: InChI=1S/C13H10O3/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8,14-15H
InChIKey: YIYBRXKMQFDHSM-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1O)(C1=CC=CC=C1O)=O

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: 2914.50.3000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

제조 방법

Preparation by diazotization of 4,4′-diamino-2,2′- di-hydroxybenzophenone in diluted hydrochloric acid, followed by treatment with 50% phosphorous acid at 0° for 1 h, then at r.t. for 24 h (34%).