Basic Blue 47
Basic information
- CAS
12217-43-5- Standard SMILES
CN(C)Cc1ccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
IVFRHOQHKQWEHJ-UHFFFAOYSA-N- Molecular formula
- C23H21N3O2
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.16337692
Names & identifiers
- Preferred name
- Basic Blue 47
- IUPAC
- 1-amino-4-[4-[(dimethylamino)methyl]anilino]anthracene-9,10-dione
- English name
- 1-amino-4-[[4-[(dimethylamino)methyl]phenyl]amino]anthraquinone
- Molecular formula
- C23H21N3O2
- Molecular weight
- 371.43
Names & synonyms
Basic blue 4712217-43-5C.I. Basic Blue 47EINECS 235-398-7UNII-8G3UK6793U8G3UK6793UASTRAZON BLUE 3RLSUMIACRYL BLUE 3RLOWACRYL BLUE 47SUMIACRYL BLUE N 3RLAIZEN CATHILON BLUE 3RLHDTXSID10153531
Show more names
C.I.61111C.I.BASICBLUE47Cationic Blue 3RLSumiacryl Blue N-3RL.Basic blue 47 (C.I. 61111)C.I.Basic Blue 47:C.I.61111
CALCOZINE ACRYLIC BLUE 3RLC.I. 611119,10-Anthracenedione, 1-amino-4-((4-((dimethylamino)methyl)phenyl)amino)-ANTHRAQUINONE, 1-AMINO-4-(.ALPHA.-DIMETHYLAMINO-P-TOLUIDINO)-RefChem:116613BASIC BLUE 47 [INCI]DTXCID7076022ANTHRAQUINONE, 1-AMINO-4-(ALPHA-DIMETHYLAMINO-P-TOLUIDINO)-
Database identifiers
- CAS
12217-43-5- PubChem CID
- 82972
- DTXSID
DTXSID10153531- UNII
- 8G3UK6793U
- EC Number
- 235-398-7
- Nikkaji
- J58.306E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 584
Experimental & physicochemical properties
CosmeticsHair dyeing
Physicochemical properties
- Boiling point
- 570 · 570.0±50.0 °C(Predicted)
- Density
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- pka
- 9.06 · 9.06±0.28(Predicted)
- EWG's Food Scores
- 1 · 1-4
- FDA UNII
- 8 G3UK6793U · 8G3UK6793U
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Hair dyeing
Upstream & downstream products
Upstream raw materials
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Related reactions
0 records
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Compound notes
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