Basic information
- CAS
4051-63-2- Standard SMILES
Nc1ccc(-c2ccc(N)c3c2C(=O)c2ccccc2C3=O)c2c1C(=O)c1ccccc1C2=O- InChIKey
KNMQFBWXSICVQC-UHFFFAOYSA-N- Molecular formula
- C28H16N2O4
- Average molar mass
- 444.4 g/mol
- Monoisotopic mass
- 444.111007
Names & identifiers
- Preferred name
- Pigment Red 177
- IUPAC
- 1-amino-4-(4-amino-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione
- English name
- Pigment Red 177
- Molecular formula
- C28H16N2O4
- Molecular weight
- 444.44
Names & synonyms
(1,1'-Bianthracene)-9,9',10,10'-tetrone, 4,4'-diamino-EINECS 223-754-4UNII-66S4IFF43R66S4IFF43RC.I. 653004,4'-Diamino(1,1'-bianthracene)-9,9',10,10'-tetraoneDTXSID2052079EC 223-754-44,4'-Diamino[1,1'-bianthracene]-9,9',10,10'-tetraoneCI 65300[1,1'-Bianthracene]-9,9',10,10'-tetrone, 4,4'-diamino-RefChem:174229
Show more names
P-red 177Fast Red A3Bpigment red 177ANTHRAQUINONE REDPermanent Red A3BPetasin Impurity 2Cromophtal Red A-3BC.I. Pigment Red 177Pigment red 177 (C.I. 65300)
DTXCID70306464051-63-21-amino-4-(4-amino-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione4,4'-Diamino-[1,1'-bianthracene]-9,9',10,10'-tetraone4,4'-Diamino-1.1'-bianthraquinone4,4'-DIAMINO-9H,9'H,10H,10'H-[1,1'-BIANTHRACENE]-9,9',10,10'-TETRONE4,4'-Diamino[1,1'-bianthracene]-9,9',10,10'-tetroneSCHEMBL278755
Database identifiers
- CAS
4051-63-2
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 829
Experimental & physicochemical properties
Polymers
Plastics -> Pigments agents
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
SpringerMaterials PropertiesCrystal structure
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Melting point
- 356 · 356-358°C
- Boiling point
- 797.2 · 797.2±60.0 °C(Predicted)
- Density
- 1.488 · 1.488
- pka
- -0.63 · -0.63±0.20(Predicted)
- Water Solubility
- 25 μg/L · 25μg/L at 20-23℃
- LogP
- 0 at · 0 at 20-23℃
- FDA 21 CFR
- 178.3297 · 178.3297
- Indirect Additives used in Food Contact Substances
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
This chemical does not meet GHS hazard criteria for 34.5% (233 of 675) of reports.
H413 (65.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 675 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: [1,1'-Bianthracene]-9,9',10,10'-tetrone, 4,4'-diamino-
REACH registered substance: 4,4'-diamino[1,1'-bianthracene]-9,9',10,10'-tetraone (EC: 223-754-4)
[1,1'-Bianthracene]-9,9',10,10'-tetrone, 4,4'-diamino-: 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 CategoriesAquatic Chronic 4 (65.5%)
Safety data
- tsca
- TSCA listed
- Hazard statements
- H413
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
UsesPlastics -> Typical concentration range in plastic materials -> 1.0 - 2.0%
Use Classification
Plastics -> Pigments agents
Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
General Manufacturing Information[1,1'-Bianthracene]-9,9',10,10'-tetrone, 4,4'-diamino-: ACTIVE
Applications
UsesPigment Red 177 is a commonly used commercial dye for bulk coloring of plastics and synthetic fibers and for surface coatings such as paints and inks.
Suppliers54 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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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