3-Ketocarbofuran phenol

HCID 87303CAS 17781-16-7

기본 정보

표준 SMILES: CC1(C)Oc2c(O)cccc2C1=O
InChIKey: XLZCZWCXCBPEJR-UHFFFAOYSA-N
분자식: C10H10O3
평균 분자량: 178.18 g/mol
단동위원소 질량: 178.06299418

이름 및 식별자

우선 이름: 3-Ketocarbofuran phenol
IUPAC: 7-hydroxy-2,2-dimethyl-1-benzofuran-3-one
영어명: 3-Ketocarbofuranphenol
분자식: C10H10O3
분자량: 178.18

이름 및 동의어

3-Ketocarbofuran phenol7-Hydroxy-2,2-dimethyl-benzofuran-3-oneRefChem:502903621-939-817781-16-7Carbofuranphenol-3-keto3(2H)-Benzofuranone, 7-hydroxy-2,2-dimethyl-7-Hydroxy-2,2-dimethylbenzofuran-3-one7-hydroxy-2,2-dimethyl-1-benzofuran-3-one7-Hydroxy-2,2-dimethyl-1-benzofuran-3(2H)-oneCARBOFURANPHENOL-3-KETO,50MG,NEAT3-KETOCARBOFURANPHENOL

이름 더 보기

Paracetamol Impurity 34CARBOFURANPHENOL-3-KETO, 50MG, NEAT2,2-Dimethyl-7-hydroxybenzofuran-3(2H)-one7-Hydroxy-2,2-dimethylbenzofuran-3(2H)-one7-HYDROXY-2,2-DIMETHYL-3(2H)-BENZOFURANONE)Carbofuran phenol-3-ketone@100 μg/mL in MeOHCarbofuranphenol-3-keto, 10 μg /μL in acetonitrile

7-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-3-oneCarbofuran 3-keto 7-phenolSCHEMBL5080247DTXSID1041556MFCD00155426AKOS006272446MSK000288-100ANS00126656

데이터베이스 식별자

CAS: 17781-16-7
PubChem CID: 87303
DTXSID: DTXSID1041556
EC Number: 621-939-8
Nikkaji: J10.192C

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 234

실험 및 물리화학적 성질

SpringerMaterials PropertiesFusion temperature

LogP1.87

물리화학적 성질

끓는 점: 314.5 · 314.5±42.0 °C(Predicted)
밀도: 1.246 · 1.246±0.06 g/cm3(Predicted)
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 8.44 · 8.44±0.40(Predicted)
색상: 흰색에서 황백색까지
NIST: 3 · 3(2H)-benzofuranone, 7-hydroxy-2,2-dimethyl-(17781-16-7)
EPA: 7 · 7-Hydroxy-2,2-dimethylbenzofuran-3-one (17781-16-7)

안전 및 규제

GHS 분류

GHS Classification · 4건

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 70 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

ridadr: 2757
risk_code: 36/37/38-51/53
hazard_code: Xi,N
safety_code: 26-36/37-61
포장분류: III
위험 등급: 6.1(b)

화학 및 산업

응용 분야

용도Carbofuranphenol-3-keto can be used in biological study of comparison of free and bound aroma compounds in peel and seed kernel of Rosa roxburghii Tratt.

공급사8 곳

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]

天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]

艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]

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