Basic information
- CAS
145-50-6- Standard SMILES
O=C1C=CC(=C(c2ccccc2)c2ccc(O)c3ccccc23)c2ccccc21- InChIKey
VDDWRTZCUJCDJM-UHFFFAOYSA-N- Molecular formula
- C27H18O2
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.13067981
Names & identifiers
- Preferred name
- (E)-4-((4-hydroxynaphthalen-1-yl)(phenyl)methylene)naphthalen-1(4H)-one
- IUPAC
- 4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one
- English name
- p-Naphtholbenzein
- Molecular formula
- C27H18O2
- Molecular weight
- 374.43
Names & synonyms
(E)-4-((4-hydroxynaphthalen-1-yl)(phenyl)methylene)naphthalen-1(4H)-one4-((4-Hydroxynaphthalen-1-yl)(phenyl)methylene)naphthalen-1(4H)-one1-NaphtholbenzeinC27H18O2a-Naphtholbenzein (Technical Grade)162335-97-9p-Naphtolbenzein4-[(4-Hydroxy-1-naphthalenyl)phenylmethylene]-1(4H)-naphthalenone; NSC 9862; p-Naphtholbenzein; alpha-NaphtholbenzeinNaphtholbenzein Impurity 1Naphtholbenzein Impurity 2orb1944058SCHEMBL3703616
Show more names
α-NaphtholbenzeinA-NAPHTHOLBENZEINALPHA-NAPHTHOLBENZEIN1-NAPHTHOLBENZEIN Indicator gradeNsc 98628.2-10.0)pha-NaphthoLp-phtolbenzeinP-NAPTHOLBENZEINà-naphtholbenzein
NPE10084-[(4-hydroxy-1-naphthyl)-phenyl-methylene]naphthalen-1-one4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-oneN0028NS00021665a-Naphtholbenzein, Indicator (pH 8.2-10.0)F16745(Z)-4-((4-hydroxynaphthalen-1-yl)(phenyl)methylene)naphthalen-1(4H)-one
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 668
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 235 °C · 235 °C
- Boiling point
- 463.44 °C · 463.44°C (rough estimate)
- Density
- 1.0946 · 1.0946 (rough estimate)
- bulk density
- 120 · 120-300kg/m3
- vapor density
- 12.9 · 12.9 (vs air)
- refractive index
- 1.4875 · 1.4875 (estimate)
- Flash point
- Not applicable
- storage temp.
- 5 °C · Store at +5°C to +30°C.
- solubility
- Solubility Insoluble in water; soluble in ethanol, methanol
- pka
- 8.95 · 8.95(at 25℃)
- form
- powder to crystal
- color
- Orange to Amber to Dark red
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29145000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Aquatic Chronic 4
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usesalpha-Naphtholbenzein is a pH indicator (pH 0.0-0.8/ pH 8.2-10.0). Dyes and metabolites.
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]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
天津市光复科技发展有限公司022-85689490 13132141716 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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