2-클로로-4-페닐페놀

2-Chloro-4-Phenylphenol

HCID 7074

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 92-04-6
표준 SMILES: Oc1ccc(-c2ccccc2)cc1Cl
InChIKey: BZWMYDJJDBFAPE-UHFFFAOYSA-N
분자식: C12H9ClO
평균 분자량: 204.65 g/mol
단동위원소 질량: 204.03419259

이름 및 식별자

우선 이름: 2-Chloro-4-Phenylphenol
IUPAC: 2-chloro-4-phenylphenol
현지명: 2-클로로-4-페닐페놀
영어명: 2-Chloro-4-phenylphenol
분자식: C12H9ClO
분자량: 204.65

이름 및 동의어

2-CHLORO-4-PHENYLPHENOL92-04-64-Phenyl-2-chlorophenolDowicide 4o-Chloro-p-phenylphenol[1,1'-Biphenyl]-4-ol, 3-chloro-(1,1'-Biphenyl)-4-ol, 3-chloro-229K1W6JFYNSC-3858NSC3858RefChem:469098202-120-0

이름 더 보기

2-클로로-4-페닐페놀dowicide43-chloro-4-biphenylo4-BIPHENYLOL,3-CHLORO-2-chloro-4-phenyl-pheno

Sanidril3-Chloro-4-biphenylol3-Chlorobiphenyl-4-ol3-Chloro-4-hydroxybiphenyl2-Chloro-p-phenylphenol3-Chloro-4-hydroxydiphenylPhenol, 2-chloro-4-phenyl-3-Chlor-4-hydroxybifenyl

데이터베이스 식별자

CAS: 92-04-6
PubChem CID: 7074
DTXSID: DTXSID0022353
ChEMBL: CHEMBL406630
UNII: 229K1W6JFY
EC Number: 202-120-0
Nikkaji: J4.647G

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 177

실험 및 물리화학적 성질

PolymersOther Classes -> Halogenated Polyaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionPale yellow solid; [Merck Index]

Collision Cross Section · 2건

143.8 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0022353]

146 Å² [M-H]-

물리화학적 성질

녹는점: 75 °C · 75°C
끓는 점: 293.89 °C · 293.89°C (rough estimate)
밀도: 1.1409 · 1.1409 (rough estimate)
굴절률: 1.599 · 1.5990 (estimate)
저장 조건: 2 · 2-8°C, stored under nitrogen
물리적 상태: powder to crystal
색상: White to Light yellow to Light red
EPA: 2 · 2-Chloro-4-phenylphenol (92-04-6)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.

[1,1'-Biphenyl]-4-ol, 3-chloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryA mild skin and severe eye irritant; [RTECS] An irritant that may cause serious eye injury; [Aldrich MSDS] See o-Phenylphenol.

Hazard Classes and CategoriesEye Dam. 1 (100%)