기본 정보
- 표준 SMILES
O=C(c1ccccc1)c1ccc(-c2ccccc2)cc1- InChIKey
LYXOWKPVTCPORE-UHFFFAOYSA-N- 분자식
- C19H14O
- 평균 분자량
- 258.3 g/mol
- 단동위원소 질량
- 258.10446507
이름 및 식별자
- 우선 이름
- 4-Benzoylbiphenyl
- IUPAC
- phenyl-(4-phenylphenyl)methanone
- 현지명
- 4-벤조일바이페닐
- 영어명
- 4-Benzoylbiphenyl
- 분자식
- C19H14O
- 분자량
- 258.31
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
2128-93-0- PubChem CID
- 75040
- DTXSID
DTXSID4062193- ChEMBL
CHEMBL5205515- UNII
- UK25C63WBD
- EC Number
- 218-345-2
- Nikkaji
- J149.803G
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 302
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 99 · 99-101 °C(lit.)
- 끓는 점
- 419 · 419-420 °C(lit.)
- 밀도
- 1.0651 · 1.0651 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 20℃
- 굴절률
- 1.55 · 1.5500 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 가열)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 수용성
- 73.6 μg/L · 73.6μg/L at 20℃
- BRN
- 1876092 · 1876092
- InChI
- 1S/C19H14O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
- InChIKey
- LYXOWKPVTCPORE-UHFFFAOYSA-N
- SMILES
- O=C(c1ccccc1)c2ccc(cc2)-c3ccccc3
- LogP
- 4.7 at · 4.7 at 35℃
- NIST
- 1 · Methanone, [1,1'-biphenyl]-4-ylphenyl-(2128-93-0)
- EPA
- 1 · Methanone, [1,1'-biphenyl]-4-ylphenyl- (2128-93-0)
화학적 성질
SLIGHTLY YELLOW TO BEIGE CRYSTALLINE POWDER
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 92.8% (2211 of 2383) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 2211 of 2383 companies (only 7.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 2383 reports by companies from 7 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 2211 of 2383 reports by companies.;There are 6 notifications provided by 172 of 2383 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: Methanone, [1,1â²-biphenyl]-4-ylphenyl-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Methanone, [1,1'-biphenyl]-4-ylphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, [1,1'-biphenyl]-4-ylphenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 17-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25482;Status: Active Update: 26-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25180
Methanone, [1,1'-biphenyl]-4-ylphenyl-: Does not have an individual approval but may be used under an appropriate group standard
규제 정보
Regulatory Information
Chemical: Methanone, [1,1â²-biphenyl]-4-ylphenyl-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Methanone, [1,1'-biphenyl]-4-ylphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, [1,1'-biphenyl]-4-ylphenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 17-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25482;Status: Active Update: 26-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25180
Methanone, [1,1'-biphenyl]-4-ylphenyl-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- PC4936800
- HS 번호
- 29143990
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xi,Xn
- safety_code
- 24/25-36-26
- 기존화학 물질
- 2002-3-2228
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Repr. 1B
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
용도 및 제조
General Manufacturing Information
Plastics Material and Resin Manufacturing;Not Known or Reasonably Ascertainable
Methanone, [1,1'-biphenyl]-4-ylphenyl-: ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
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