비스(2-하이드록시페닐)메테인

Bis(2-hydroxyphenyl)methane

HCID 75575CAS 1333-16-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Oc1ccccc1Cc1ccccc1O
InChIKey: MQCPOLNSJCWPGT-UHFFFAOYSA-N
분자식: C13H12O2
평균 분자량: 200.23 g/mol
단동위원소 질량: 200.08372962

개요

2,2'-Bisphenol F is a diarylmethane.

이름 및 식별자

우선 이름: Bis(2-hydroxyphenyl)methane
IUPAC: 2-[(2-hydroxyphenyl)methyl]phenol
현지명: 비스(2-하이드록시페닐)메테인
영어명: 2,2'-METHYLENEDIPHENOL
분자식: C13H12O2
분자량: 200.23

이름 및 동의어

2,2'-Methylenediphenol2467-02-92,2'-Bisphenol FBis(2-hydroxyphenyl)methane2,2'-DihydroxydiphenylmethanePhenol, 2,2'-methylenebis-o-(o-Hydroxybenzyl)phenolPhenol, 2,2'-methylenedi-NSC-40210304D0A23747ortho, ortho-bisphenol FRefChem:917246

이름 더 보기

비스(2-하이드록시페닐)메테인2,2'-메틸렌디페놀BIS(O-HYDROXYPHENYL)METHANE2,2’-bisphenolf2,2 '- Bisphenol2,2’-methylenebis-pheno2,2’-methylenebis-phenolPhenol, 2,2-methylenebis-

(2,2'-dihydroxydiphenyl)methane219-578-22-[(2-hydroxyphenyl)methyl]phenol2,2'-Bis(hydroxyphenyl)methane2,2'-Methylenebis(phenol)MFCD000022432-(2-hydroxybenzyl)phenol1333-16-0

데이터베이스 식별자

CAS: 1333-16-0、2467-02-9
PubChem CID: 75575
DTXSID: DTXSID4022446
ChEMBL: CHEMBL148831
ChEBI: CHEBI:34207
UNII: 04D0A23747
EC Number: 219-578-2
Nikkaji: J80.494K

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 173

실험 및 물리화학적 성질

SpringerMaterials PropertiesViscosity

Endocrine DisruptorsPotential endocrine disrupting compound

Collision Cross Section142.9 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4022446]

물리화학적 성질

녹는점: 113 · 113-118 °C(lit.)
끓는 점: 363 · 363-365 °C(Press: 758 Torr)
밀도: 1.208 · 1.208±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 9.81 · 9.81±0.30(Predicted)
색상: 흰색에서 황백색까지
안정성: 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI: 1S/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2
InChIKey: MQCPOLNSJCWPGT-UHFFFAOYSA-N
SMILES: Oc1ccccc1Cc2ccccc2O
EPA: 2 · Phenol, 2,2'-methylenebis- (2467-02-9)

화학적 성질

peach-coloured powder or chunks

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.7% (2 of 116) of reports.

Danger

H315 (81.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 116 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Phenol, 2,2'-methylenebis-

Phenol, 2,2'-methylenebis-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (81.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 2907.19.8000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: 2001-3-1863
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationPhenol, 2,2'-methylenebis-: ACTIVE

응용 분야

용도2,2'-Bis(hydroxyphenyl)methane is a dihydroxydiphenyl methane and the ortho analogue of Bisphenol F (B519555). 2,2'-Bis(hydroxyphenyl)methane is a contact sensitizer found in resins and products based on phenol-formaldehyde.