기본 정보
- CAS
83846-85-9- 표준 SMILES
Cc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1- InChIKey
DBHQYYNDKZDVTN-UHFFFAOYSA-N- 분자식
- C20H16OS
- 평균 분자량
- 304.4 g/mol
- 단동위원소 질량
- 304.0921863
이름 및 식별자
- 우선 이름
- Methanone, (4-((4-methylphenyl)thio)phenyl)phenyl-
- IUPAC
- [4-(4-methylphenyl)sulfanylphenyl]-phenylmethanone
- 현지명
- [4-[(4-메틸페닐)티오]페닐]페닐 메타논
- 영어명
- 4-(4-Methylphenylthio)benzophenone
- 분자식
- C20H16OS
- 분자량
- 304.41
이름 및 동의어
83846-85-94-(4-Methylphenylthio)benzophenone4-benzoyl-4'-methyldiphenyl sulfideMethanone, [4-[(4-methylphenyl)thio]phenyl]phenyl-EINECS 281-064-9DTXSID10888614Methanone, (4-((4-methylphenyl)thio)phenyl)phenyl-RefChem:811653DTXCID901027890Methanone, 4-(4-methylphenyl)thiophenylphenyl-281-064-9Phenyl(4-(p-tolylthio)phenyl)methanone
이름 더 보기
[4-[(4-메틸페닐)티오]페닐]페닐메타논[4-[(4-메틸페닐)티오]페닐]페닐메타논OMNIRAD BMSAPi-BMSYF-PI BMSIHT-PI BMSSYNCURE BMSKayacure BMSSPEEDCURE BMSSPEEDCURE BMDSQuantacure BMSQuantacure DMS
4-(p-Tolylthio)benzophenone4-Benzoyl 4'-Methyldiphenyl Sulfide{4-[(4-methylphenyl)sulfanyl]phenyl}(phenyl)methanone[4-(4-methylphenyl)sulfanylphenyl]-phenylmethanone4-Methyl-4'-benzoyldiphenyl sulfideMFCD00055651{4-[(4-Methylphenyl)thio]phenyl}(phenyl)methanonePhenyl (p-tolylthio)phenyl ketone
데이터베이스 식별자
- CAS
83846-85-9- PubChem CID
- 174341
- DTXSID
DTXSID10888614- EC Number
- 281-064-9
- Nikkaji
- J208.132F
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 42.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 345
물리화학적 성질
- 녹는점
- 73 °C · 73 °C
- 끓는 점
- 477.8 · 477.8±28.0 °C(Predicted)
- 밀도
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- 증기압
- 0.001 Pa · 0.001Pa at 25℃
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 수용성
- 7.38 μg/L · 7.38μg/L at 20℃
- InChI
- InChI=1S/C20H16OS/c1-15-7-11-18(12-8-15)22-19-13-9-17(10-14-19)20(21)16-5-3-2-4-6-16/h2-14H,1H3
- InChIKey
- DBHQYYNDKZDVTN-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(SC2=CC=C(C)C=C2)C=C1)(C1=CC=CC=C1)=O
- LogP
- 5.89 at · 5.89 at 30℃
- NIST
- Quantacure bms(83846-85-9)
- EPA
- 4 · Methanone, [4-[(4-methylphenyl)thio]phenyl]phenyl- (83846-85-9)
화학적 성질
White to Off-White Solid
안전 및 규제
GHS 분류
GHS Classification
Warning
H302+H312 (45.9%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 61 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Methanone, [4-[(4-methylphenyl)thio]phenyl]phenyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 4-(4-methylphenylthio)benzophenone (EC: 281-064-9)
Methanone, 4-(4-methylphenyl)thiophenylphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (77%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2930909899
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 22-26-36/37/39
- 기존화학 물질
- KE-24849
화학 및 산업
용도 및 제조
General Manufacturing InformationMethanone, [4-[(4-methylphenyl)thio]phenyl]phenyl-: ACTIVE
응용 분야
용도A reagent for high performance polymer research.
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
上海腾准生物科技有限公司
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