1-Naphtholphthalein (pH Indicator)

CAT: 1278-1782A 00001Size: 1 gDry Ice: NoHazardous: No

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CAT#:1278-1782A 00001Size:1 g

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CAS Number

596-01-0

HS Code

32049000

Packaging Group

Chemical Information

alpha-Naphtholphthalein

structure

CAS Number	596-01-0
PubChem CID	68993
IUPAC Name	3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
Molecular Formula	C28H18O4
Molecular Weight	418.4
XLogP	6.3
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	32
Formal Charge	0
Complexity	668

SMILES

C1=CC=C2C(=C1)C(=CC=C2O)C3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C6=CC=CC=C65)O

InChI

InChI=1S/C28H18O4/c29-25-15-13-23(17-7-1-3-9-19(17)25)28(22-12-6-5-11-21(22)27(31)32-28)24-14-16-26(30)20-10-4-2-8-18(20)24/h1-16,29-30H

InChIKey

HQHBAGKIEAOSNM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 596-01-0

CID: 68993

Formula: C28H18O4

MW: 418.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	418.4
XLogP3	6.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	418.12050905
Monoisotopic Mass	418.12050905
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	668
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
01781 00005	1-Naphtholbenzein (pH Indicator)
01781 00025	1-Naphtholbenzein (pH Indicator)
01492 00005	Lacmoid (pH Indicator)
01783 00125	1-Naphtholphthalein Reagent Solution (1-Naphtholphthalein reagent Solution)
01783 00500	1-Naphtholphthalein Reagent Solution (1-Naphtholphthalein reagent Solution)
00887 00025	O-Cresolphthalein (pH Indicator)
01052 00025	Dimethyl Yellow (pH Indicator)
01052 00100	Dimethyl Yellow (pH Indicator)
00887 00005	O-Cresolphthalein (pH Indicator)
01976 00100	Phenol Red AR (pH Indicator)

Catalog	Name
1782A 00001	1-Naphtholphthalein (pH Indicator)
114140 5	1-Naphtholphthalein Indicator grade
308285-01	A-Naphtholphthalein pH Indicator
IPT1025	Indicator Phenolphthalein 1%
RRSP253-G	Litmus 1% Indicator Solution
178100025	1-Naphtholbenzein (pH Indicator)
1781A 00100	1-Naptholbenzein Indicator Solution
AR-I01573-01	Intracellular pH Indicator 1
BRCG1501	Bromocresol Green Indicator 1%
IPT01H	Indicator Phenolphthalein 0.1%