기본 정보
- CAS
2491-32-9- 표준 SMILES
O=C(Cc1ccccc1)c1ccc(O)cc1- InChIKey
JBQTZLNCDIFCCO-UHFFFAOYSA-N- 분자식
- C14H12O2
- 평균 분자량
- 212.24 g/mol
- 단동위원소 질량
- 212.08372962
이름 및 식별자
- 우선 이름
- Benzyl 4-hydroxyphenyl ketone
- IUPAC
- 1-(4-hydroxyphenyl)-2-phenylethanone
- 현지명
- 벤질4-하이드록시페닐케톤
- 영어명
- Benzyl 4-hydroxyphenyl ketone
- 분자식
- C14H12O2
- 분자량
- 212.24
이름 및 동의어
Benzyl 4-hydroxyphenyl ketone2491-32-91-(4-hydroxyphenyl)-2-phenylethanone4-HydroxydeoxybenzoinEthanone, 1-(4-hydroxyphenyl)-2-phenyl-Acetophenone, 4'-hydroxy-2-phenyl-p-(Phenylacetyl)phenolBenzyl p-hydroxyphenyl ketone4-Hydroxydesoxybenzoin4'-Hydroxy-2-phenylacetophenoneEINECS 219-654-5DTXSID30179617
이름 더 보기
벤질4-하이드록시페닐케톤4-HYDROXYDEOXYBENZOIN 97%4-HYDROXYPHENYL BENZYL KETONE 7%
RefChem:118848DTXCID90102108219-654-5JBQTZLNCDIFCCO-UHFFFAOYSA-N1-(4-hydroxyphenyl)-2-phenylethan-1-one4'-HydroxydeoxybenzoinMFCD000023604-hydroxyphenyl benzyl ketone
데이터베이스 식별자
- CAS
2491-32-9- PubChem CID
- 75607
- DTXSID
DTXSID30179617- ChEMBL
CHEMBL1904584- ChEBI
CHEBI:192647- UNII
- PB47WD2SDR
- EC Number
- 219-654-5
- Nikkaji
- J191.980F
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 223
물리화학적 성질
- 녹는점
- 148 · 148-151 °C (lit.)
- 끓는 점
- 403.3 · 403.3±20.0 °C(Predicted)
- 밀도
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 8.12 · 8.12±0.15(Predicted)
- 색상
- White to Orange to Green
- InChI
- 1S/C14H12O2/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9,15H,10H2
- InChIKey
- JBQTZLNCDIFCCO-UHFFFAOYSA-N
- SMILES
- Oc1ccc(cc1)C(=O)Cc2ccccc2
화학적 성질
Cream crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)
안전 데이터
- wgk
- 3
- HS 번호
- 29145000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
제조 방법
– Obtained by reaction of phenylacetic acid with phenol, in the presence of zinc chloride (Nencki reaction), in the presence of zinc chloride and phosphorous oxychloride for 24 h at r.t. (75%) ; in the presence of polyphosphoric acid in a boiling water bath for 15 min (28%) or at 100° (19%) ; in the presence of boron trifluoride at 80° for 2 h (87%) ; in the presence of boron trifluoride etherate under argon on a water bath for 1.5 h (75%).
공급사45 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
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山东鸿图生物科技有限公司15318761660 15966937598 · [email protected]
上海茉馥医药科技有限公司+86-188369842 +86-15618151133 · [email protected]
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范德(北京)生物科技有限责任公司15911056312 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
徐州砥研医药科技有限公司0516-0516-88997009 18651776937 · [email protected]
Aladdin Scientific[email protected]
四川恒诚致远生物科技有限公司18113192475 18113192475 · [email protected]
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