Spirit Blue

HCID 16534
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Basic information

CAS
2152-64-9
Standard SMILES
C1=CC(=C(c2ccc(Nc3ccccc3)cc2)c2ccc(Nc3ccccc3)cc2)C=CC1=Nc1ccccc1.Cl
InChIKey
JMCKWTQLJNQCTD-UHFFFAOYSA-N
Molecular formula
C37H29N3.ClH
Average molar mass
552.1 g/mol
Monoisotopic mass
551.21282564

Overview

Spirit blue is a hydrochloride obtained by combining the free base of spirit blue with one equivalent of hydrochloric acid. It has a role as a dye. It contains a spirit blue(1+).

Names & identifiers

Preferred name
Spirit Blue
IUPAC
4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N-phenylaniline;hydrochloride

Names & synonyms

Opal Blue SS2152-64-9SOLVENT BLUE 23CI Solvent Blue 23HSDB 466C.I. Solvent Blue 23, monohydrochlorideEINECS 218-441-4CI Solvent Blue 23, monohydrochlorideCI 42760690DO205AXC.I. SOLVENT BLUE 23DTXSID3027457
Show more names
CHEBI:86483Solvent Blue 23, monohydrochlorideBenzenamine, 4,4'-((4-(phenylimino)-2,5-cyclohexadien-1-ylidene)methylene)bis(N-phenyl-, hydrochloride (1:1)Benzenamine, 4,4'-[[4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methylene]bis[N-phenyl-, hydrochloride (1:1)Benzenamine, N-phenyl-4-((4-(phenylamino)phenyl)(4-(phenylimino)-2,5-cyclohexadien-1-ylidene)methyl)-, monohydrochlorideN-Phenyl-4-((4-(phenylamino)phenyl)(4-(phenylimino)cyclohexa-2,5-dien-1-ylidene)methyl)aniline monohydrochlorideBenzenamine, 4,4'-((4-(phenylimino)-2,5-cyclohexadien-1-ylidene)methylene)bis(N-phenyl-, monohydrochlorideN,N'-[{[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methylene}di(4,1-phenylene)]dianiline hydrochloride

Database identifiers

CAS
2152-64-9
PubChem CID
16534
DTXSID
DTXSID3027457
ChEBI
CHEBI:86483
UNII
690DO205AX
EC Number
218-441-4

Properties

Computed structural propertiesFilling in

Topological polar surface area
36.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
41

Experimental & physicochemical properties

Chemical ClassesDyes -> Di- and Triaryl Dyes

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Benzenamine, N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methyl]-, monohydrochloride

REACH registered substance: N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (EC: 218-441-4)

Benzenamine, 4,4'-[[4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methylene]bis[N-phenyl-, monohydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified

Chemistry & industry

Uses & manufacturing

U.S. Exports · 2 items

(1972) No Data

(1975) No Data

U.S. Imports · 2 items

(1972) No Data

(1975) No Data

U.S. Production · 2 items

(1972) No Data

(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS

Methods of ManufacturingFORMERLY BY REACTION OF CI BASIC RED 9 WITH EXCESS ANILINE IN THE PRESENCE OF BENZOIC ACID
General Manufacturing InformationBenzenamine, 4,4'-[[4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methylene]bis[N-phenyl-, hydrochloride (1:1): ACTIVE

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