기본 정보
- 표준 SMILES
OC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
LZTRCELOJRDYMQ-UHFFFAOYSA-N- 분자식
- C19H16O
- 평균 분자량
- 260.3 g/mol
- 단동위원소 질량
- 260.12011513
개요
Tritylalcohol is a benzenoid aromatic compound.
이름 및 식별자
- 우선 이름
- Triphenylcarbinol
- IUPAC
- triphenylmethanol
- 현지명
- 트리페닐메탄올
- 영어명
- Triphenylmethanol
- 분자식
- C19H16O
- 분자량
- 260.33
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
76-84-6- PubChem CID
- 6457
- DTXSID
DTXSID0058803- ChEMBL
CHEMBL118166- ChEBI
CHEBI:228440- UNII
- U97Q0OU9KB
- EC Number
- 200-988-5
- Nikkaji
- J4.186F
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 235
실험 및 물리화학적 성질
Physical Description
Other Solid
Solid; [Merck Index] White to cream crystalline powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 160 · 160-163 °C (lit.)
- 끓는 점
- 360 °C · 360 °C (lit.)
- 밀도
- 40 · d40 1.199
- 굴절률
- 1.622 · 1.6220 (estimate)
- 인화점
- 360 · 360-380°C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 0.1 g/mL, · 디옥산: 0.1 g/mL, 투명
- 산도 계수 (pKa)
- 12.73 · 12.73±0.29(Predicted)
- 물리적 상태
- 미세 결정성 분말
- 색상
- 흰색에서 밝은 노란색
- 수용성
- 불용성
- Merck
- 14 · 14,9739
- BRN
- 1460837 · 1460837
- 안정성
- 안정적인. 타기 쉬운. 산화제, 산, 산 염화물, 산 무수물과 호환되지 않습니다.
- InChI
- 1S/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H
- InChIKey
- LZTRCELOJRDYMQ-UHFFFAOYSA-N
- SMILES
- OC(c1ccccc1)(c2ccccc2)c3ccccc3
- NIST
- Benzenemethanol, «alpha»,«alpha»-diphenyl-(76-84-6)
- EPA
- Benzenemethanol, .alpha.,.alpha.-diphenyl- (76-84-6)
화학적 성질
Triphenylmethanol is a white powder or colorless, isolated crystals that are soluble in alcohol, ether, and benzene. It turns dark yellow when dissolved in concentrated sulfuric acid, colorless when dissolved in glacial acetic acid, and is insoluble in water and petroleum ether. It distills at 360-380°C without decomposition.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.9% (1 of 114) of reports.
Warning
H315 (98.2%): 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 114 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzenemethanol, .alpha.,.alpha.-diphenyl-
Benzenemethanol, .alpha.,.alpha.-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanol, .alpha.,.alpha.-diphenyl- 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: 14-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21505
Benzenemethanol, .alpha.,.alpha.-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29062900
- risk_code
- 38-36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
- 기존화학 물질
- 2001-3-1908
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information
Petrochemical Manufacturing
Benzenemethanol, .alpha.,.alpha.-diphenyl-: ACTIVE
응용 분야
용도Triphenylmethanol is used as a reagent in the research laboratory. It acts as an intermediate in the production of the commercially useful triarylmethane dyes. It is used in the preparation of triphenylmethane. It is also used as an antiproliferative agent. Further, it is used in the preparation of two-electron reduction product of pyrylogen. In addition to this, it reacts with triphenylphosphine oxide to form a 1:1 molecular complex. It serves as a specific clathrate host for methanol and dimethyl sulphoxide and forms clathrate inclusion complexes. Triphenylmethanol was used in the synthesis of of the two-electron reduction product of pyrylogen. It undergoes reduction to triphenylmethane by 9, 10-dihydro-10-methylacridine in the presence of perchloric acid.
일반 설명Triphenylmethanol forms 1:1 molecular complex with triphenylphosphine oxide. It is a specific clathrate host for methanol and dimethyl sulphoxide and forms clathrate inclusion complexes. It undergoes reduction to triphenylmethane by 9, l0-dihydro-10-methylacridine in the presence of perchloric acid.
제조 방법
Triphenylmethanol synthesis: Triphenylmethanol was prepared by the action of benzene with carbon tetrachloride in the presence of Aluminum chloride, followed by acidification and hydrolysis.Triphenylmethanol can also be prepared by the reaction of phenylmagnesium bromide with methyl benzoate (instead of benzophenone).Synthesis of Triphenylmethanol
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