Basic information
- CAS
596-01-0- Standard SMILES
O=C1OC(c2ccc(O)c3ccccc23)(c2ccc(O)c3ccccc23)c2ccccc21- InChIKey
HQHBAGKIEAOSNM-UHFFFAOYSA-N- Molecular formula
- C28H18O4
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.12050905
Overview
structure
Names & identifiers
- Preferred name
- alpha-Naphtholphthalein
- IUPAC
- 3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
- English name
- alpha-Naphtholphthalein
- Molecular formula
- C28H18O4
- Molecular weight
- 418.44
Names & synonyms
alpha-Naphtholphthalein596-01-0Naphtholphthalein3,3-Bis(4-hydroxy-1-naphthyl)phthalide1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-1-naphthalenyl)-2QEG1706NNDTXSID70208273RefChem:555892DTXCID90130764209-875-51-Naphtholphthalein3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one
Show more names
1-naphthol quinoneɑ-Naphtholphthaleinl-naphtholphthaleinà-naphtholphthaleinα-Naphtholphthaleinp-α-Naphtholphthaleinα-Naphtholphthalein>Naphtholphthalein blue
a-naphtholphthaleinnaphtholphthalein bluea-NaphtolphtaleinMFCD000362023,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one3,3-bis(4-hydroxynaphthalen-1-yl)-1,3-dihydro-2-benzofuran-1-one|A-NaphtholphthaleinUNII-2QEG1706NN
Database identifiers
- CAS
596-01-0- PubChem CID
- 68993
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 668
Experimental & physicochemical properties
Chemical ClassesDyes -> Indicator Dyes
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionColorless solid when pure; Usually greyish-red; [Merck Index] Grey to brown solid; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 238 · 238-240 °C(lit.)
- Boiling point
- 496.21 °C · 496.21°C (rough estimate)
- Density
- 1.1532 · 1.1532 (rough estimate)
- bulk density
- 350 kg/m3 · 350kg/m3
- vapor density
- 14.44 · 14.44 (vs air)
- refractive index
- 1.64 · 1.6400 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Solubility Practically insoluble in water; soluble in ethanol
- form
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
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-1-naphthalenyl)-
1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-1-naphthalenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 32041900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
Chemistry & industry
Uses & manufacturing
UsesUsed as an indicator; [Merck Index]
Applications
Usesalpha-Naphtholphthalein is used in preparation of epoxy resin compound, preparing, laminated board, printed circuit board, and cured product with high heat resistance and flame retardancy.
UsesAs indicator in 0.1% or 0.04% solution in alcohol. pH 7.3 colorless to reddish; 8.7 greenish to blue. Particularly adapted for weak acids in strong alcoholic solution.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017; +8613259417953 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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