m-페닐페놀

3-Phenylphenol

HCID 11381CAS 580-51-8

기본 정보

표준 SMILES: Oc1cccc(-c2ccccc2)c1
InChIKey: UBXYXCRCOKCZIT-UHFFFAOYSA-N
분자식: C12H10O
평균 분자량: 170.21 g/mol
단동위원소 질량: 170.07316494

개요

Biphenyl-3-ol is a member of the class of hydroxybiphenyls that is phenol in which the hydrogen at position 3 has been replaced by a phenyl group.

이름 및 식별자

우선 이름: 3-Phenylphenol
IUPAC: 3-phenylphenol
현지명: m-페닐페놀
영어명: 3-PHENYLPHENOL
분자식: C12H10O
분자량: 170.21

이름 및 동의어

3-PHENYLPHENOL580-51-8[1,1'-Biphenyl]-3-ol3-Hydroxybiphenyl3-Biphenylolm-Phenylphenolm-Hydroxydiphenylm-Hydroxybiphenyl3-HydroxydiphenylDTXSID2022462(1,1'-Biphenyl)-3-olZU11X47H4O

이름 더 보기

키세놀m-페닐페놀하이드록시비페닐NSC 175883-BIPHENYOLm-Biphenylol

NSC-17588DTXCID602462RefChem:95336629-441-2Biphenyl-3-ol3-phenyl phenolMFCD00002294Phenol, m-phenyl-

데이터베이스 식별자

CAS: 580-51-8
PubChem CID: 11381
DTXSID: DTXSID2022462
ChEMBL: CHEMBL122570
ChEBI: CHEBI:34338
UNII: ZU11X47H4O
EC Number: 629-441-2
Nikkaji: J1.630F

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 149

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP3.23

Collision Cross Section140.0 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2022462]

물리화학적 성질

녹는점: 75 · 75-80 °C(lit.)
끓는 점: 120 · 120-130 °C
밀도: 1.0149 · 1.0149 (rough estimate)
굴절률: 1.6188 · 1.6188 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 결정질 분말 또는 덩어리
산도 계수 (pKa): 9.64 · 9.64(at 25℃)
색상: 흰색에서 노란색-베이지색
BRN: 1907938 · 1907938
InChI: InChI=1S/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H
InChIKey: UBXYXCRCOKCZIT-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=CC=CC(O)=C1
LogP: 3.23 · 3.230
EPA: m-Phenylphenol (580-51-8)

화학적 성질

white to yellow-beige crystalline powder or

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 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information[1,1'-Biphenyl]-3-ol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29071990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information[1,1'-Biphenyl]-3-ol: INACTIVE

응용 분야

용도3 -Phenylphenol is a sensitive colorimetric reagent, used for the analysis of uronic acid.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

추가 설명

정의ChEBI: A member of the class of hydroxybiphenyls that is phenol in which the hydrogen at position 3 has been replaced by a phenyl group.

연결된 노트

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