Basic information
- CAS
54978-55-1- Standard SMILES
O=C(Oc1ccccc1)c1cc(O)c2ccccc2c1O- InChIKey
XDUXGEPGVNWEBQ-UHFFFAOYSA-N- Molecular formula
- C17H12O4
- Average molar mass
- 280.27 g/mol
- Monoisotopic mass
- 280.07355886
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester
- IUPAC
- phenyl 1,4-dihydroxynaphthalene-2-carboxylate
- English name
- Phenyl 1,4-dihydroxy-2-naphthoate
- Molecular formula
- C17H12O4
- Molecular weight
- 280.27
Names & synonyms
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
Show more names
SALOR-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
Database identifiers
- CAS
54978-55-1
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- 156 °C · 156°C
- Boiling point
- 505.4 · 505.4±35.0 °C(Predicted)
- Density
- 1.375 · 1.375±0.06 g/cm3(Predicted)
- pka
- 8.39 · 8.39±0.50(Predicted)
- form
- powder to crystal
- color
- 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
- CAS DataBase Reference
- 54978 · 54978-55-1(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester (54978-55-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2918.29.7500
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, phenyl ester: ACTIVE
Applications
Uses1,4-Dihydroxy-2-naphthoic acid phenyl ester is used in the synthesis of dyes, pigments and photosensitive materials.
Suppliers63 total
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 · [email protected]
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 15900990114 · [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]
Related reactions
2 records
Compound notes
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