기본 정보
- CAS
54978-55-1- 표준 SMILES
O=C(Oc1ccccc1)c1cc(O)c2ccccc2c1O- InChIKey
XDUXGEPGVNWEBQ-UHFFFAOYSA-N- 분자식
- C17H12O4
- 평균 분자량
- 280.27 g/mol
- 단동위원소 질량
- 280.07355886
이름 및 식별자
- 우선 이름
- 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester
- IUPAC
- phenyl 1,4-dihydroxynaphthalene-2-carboxylate
- 현지명
- 1,4-디하이드록시-2-나프토에산페닐에스테르
- 영어명
- Phenyl 1,4-dihydroxy-2-naphthoate
- 분자식
- C17H12O4
- 분자량
- 280.27
이름 및 동의어
54978-55-12-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl esterEINECS 259-419-4DTXSID1074626RefChem:476593DTXCID4041814Phenyl 1,4-dihydroxy-2-naphthoatephenyl 1,4-dihydroxynaphthalene-2-carboxylateMFCD00075770Phenyl1,4-dihydroxy-2-naphthoateDihydroxynaphtoicacidphenylester1,4-Dihydroxy-2-naphthoic Acid Phenyl Ester
이름 더 보기
1,4-디하이드록시-2-나프토에산페닐에스테르페닐1,4-디히드록시-2-나프토에이트SALOR-INT L203955-1EAPhenyl1,4-Dihydroxy-2-naphthoate>1,4-DIHYDROXY-2-NAPHTHOIC ACID PHENYL1,4-Dihydroxy-2-naphthoate phenyl ester1.4-Dihydroxy-2-Naphthoicacid Phenyleste
1,4-dihydroxy-2-phenylnaphthoate1,4-Dihydroxy-2-naphtoic acid phenyl esterOprea1_001204XDUXGEPGVNWEBQ-UHFFFAOYSA-SY0530311,4-Dihydroxy-2-naphtoic acid phenyl este2-phenoxycarbonyl-1,4-dihydroxynaphthaleneSCHEMBL590944
데이터베이스 식별자
- CAS
54978-55-1- PubChem CID
- 604249
- DTXSID
DTXSID1074626- EC Number
- 259-419-4
- Nikkaji
- J40.534E
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 364
물리화학적 성질
- 녹는점
- 156 °C · 156°C
- 끓는 점
- 505.4 · 505.4±35.0 °C(Predicted)
- 밀도
- 1.375 · 1.375±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.39 · 8.39±0.50(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- Light yellow to Yellow to Green
- InChI
- InChI=1S/C17H12O4/c18-15-10-14(16(19)13-9-5-4-8-12(13)15)17(20)21-11-6-2-1-3-7-11/h1-10,18-19H
- InChIKey
- XDUXGEPGVNWEBQ-UHFFFAOYSA-N
- SMILES
- C1(O)=C2C(C=CC=C2)=C(O)C=C1C(OC1=CC=CC=C1)=O
- EPA
- 2 · 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester (54978-55-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAquatic Acute 1 (100%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2918.29.7500
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
화학 및 산업
용도 및 제조
General Manufacturing Information2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester: ACTIVE
공급사63 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]
常州佳德医药科技有限公司18006124028
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕合生物化学技术有限公司13816464724 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited
관련 반응
2건
화합물 노트
불러오는 중…