기본 정보
- 표준 SMILES
C=CCOc1ccc(C(=O)c2ccccc2)c(O)c1- InChIKey
GVZIBGFELWPEOC-UHFFFAOYSA-N- 분자식
- C16H14O3
- 평균 분자량
- 254.28 g/mol
- 단동위원소 질량
- 254.09429431
이름 및 식별자
- 우선 이름
- 4-Allyloxy-2-hydroxybenzophenone
- IUPAC
- (2-hydroxy-4-prop-2-enoxyphenyl)-phenylmethanone
- 영어명
- 4-Allyloxy-2-hydroxybenzophenone
- 분자식
- C16H14O3
- 분자량
- 254.28
이름 및 동의어
4-Allyloxy-2-hydroxybenzophenoneMethanone, [2-hydroxy-4-(2-propenyloxy)phenyl]phenyl-Methanone, (2-hydroxy-4-(2-propenyloxy)phenyl)phenyl-Methanone, (2-hydroxy-4-(2-propen-1-yloxy)phenyl)phenyl-Methanone, [2-hydroxy-4-(2-propen-1-yloxy)phenyl]phenyl-RefChem:517368607-738-82549-87-3(4-(Allyloxy)-2-hydroxyphenyl)(phenyl)methanone2-benzoyl-5-(prop-2-en-1-yloxy)phenol4-(allyloxy)-2-hydroxybenzophenoneMFCD00191713
이름 더 보기
LABOTEST-BB LT001593044-Propyloxy-2-hydroxybenzophenone4-Allyloxy-2-hydroxybenzophenone >4-Allyloxy-2-hydroxybenzophenone 99%2-hydroxy-4-prop-2-enyloxybenzophenone(4-allyloxy-2-hydroxy-phenyl)-phenyl-methanone(2-hydroxy-4-prop-2-enoxy-phenyl)-phenyl-methanone
2-hydroxy-4-allyloxybenzophenone(2-hydroxy-4-prop-2-enoxyphenyl)-phenylmethanone2-hydroxy-4-prop-2-enyloxyphenyl phenyl ketoneOprea1_589349SCHEMBL93400DTXSID9062510SCHEMBL296446094-Allyloxy-2-hydroxy-benzophenone
데이터베이스 식별자
- CAS
2549-87-3- PubChem CID
- 75689
- DTXSID
DTXSID9062510- EC Number
- 607-738-8
- Nikkaji
- J39.684B
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 307
물리화학적 성질
- 녹는점
- 67 · 67-70 °C (lit.)
- 끓는 점
- 178 °C/1mmHg · 178°C/1mmHg(lit.)
- 밀도
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 톨루엔에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 7.63 · 7.63±0.35(Predicted)
- 색상
- Light orange to Yellow to Green
- InChI
- InChI=1S/C16H14O3/c1-2-10-19-13-8-9-14(15(17)11-13)16(18)12-6-4-3-5-7-12/h2-9,11,17H,1,10H2
- InChIKey
- GVZIBGFELWPEOC-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(OCC=C)C=C1O)(C1=CC=CC=C1)=O
- EPA
- 2 · Methanone, [2-hydroxy-4-(2-propenyloxy)phenyl]phenyl- (2549-87-3)
안전 및 규제
GHS 분류
GHS Classification
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29145090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationMethanone, [2-hydroxy-4-(2-propen-1-yloxy)phenyl]phenyl-: ACTIVE
응용 분야
용도Copolymerizable UV absorber
제조 방법
Preparation by reaction of allyl chloride (3-chloro-propene) with resbenzophenone (90%).
상·하류 제품 정보
상류 원료
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