Disperse Black 9
Basic information
- CAS
12222-69-4- Standard SMILES
Nc1ccc(N=Nc2ccc(N(CCO)CCO)cc2)cc1- InChIKey
NZKTVPCPQIEVQT-UHFFFAOYSA-N- Molecular formula
- C16H20N4O2
- Average molar mass
- 300.36 g/mol
- Monoisotopic mass
- 300.15862589
Overview
Disperse Black 9 is an organic molecular entity. It has a role as a dye.
Names & identifiers
- Preferred name
- Disperse Black 9
- IUPAC
- 2-[4-[(4-aminophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
- English name
- DISPERSE BLACK 9
- Molecular formula
- C16H20N4O2
- Molecular weight
- 300.36
Names & synonyms
Disperse black 912222-69-42,2'-((p-((p-Aminophenyl)azo)phenyl)imino)diethanol7GKC99M24TCOLOREX DBL9LOWADENE BLACK 9Ethanol, 2,2'-[[4-[(4-aminophenyl)azo]phenyl]imino]bis-EINECS 243-987-5DTXSID70666452,2'-((4-((4-Aminophenyl)azo)phenyl)imino)bisethanol2,2'-[[4-[(4-aminophenyl)azo]phenyl]imino]bisethanol2,2'-((4-((4-Aminophenyl)azo)phenyl)imino)bis(ethanol)
Show more names
BASIC BLACK 9C.I. Disperse Black 9C.I.Disperse Black 9:C.I.111301TIANFU-CHEM CAS:12222-69-4 DISPERSE BLACK 92,2'-((4-((4-Aminophenyl)diazenyl)phenyl)azanediyl)diethanol2,2'-((4-((4-Aminophenyl)diazenyl)phenyl)azanediyl)diethanol
Ethanol, 2,2'-((4-((4-aminophenyl)azo)phenyl)imino)bis-Ethanol, 2,2'-((4-(2-(4-aminophenyl)diazenyl)phenyl)imino)bis-2,2'-[4-(4-Aminophenylazo)phenylimino]diethanol4-(4'-ANILINOAZO)-N,N-BIS(2-HYDROXYETHYL)ANILINE4-AMINO-4'-(BIS(.BETA.-HYDROXYETHYL)AMINO)AZOBENZENEEthanol, 2,2'-[[4-[2-(4-aminophenyl)diazenyl]phenyl]imino]bis-2,2'-(4-(4-aminophenylazo)phenylimino)diethanolRefChem:589574
Database identifiers
- CAS
12222-69-4、20721-50-0- PubChem CID
- 88669
- DTXSID
DTXSID7066645- ChEBI
CHEBI:232794- UNII
- 7GKC99M24T
- EC Number
- 243-987-5、810-919-6
- Nikkaji
- J225.314C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 94.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Disperse Black 9) -> CIR (Cosmetic Ingredient Review)
Undefined function
Physicochemical properties
- Melting point
- 157 · 157-160 ºC
- Cosmetic Ingredient Review (CIR)
- 9 · DISPERSE BLACK 9 (12222-69-4)
- InChI
- InChI=1S/C16H20N4O2/c17-13-1-3-14(4-2-13)18-19-15-5-7-16(8-6-15)20(9-11-21)10-12-22/h1-8,21-22H,9-12,17H2/b19-18+
- InChIKey
- NZKTVPCPQIEVQT-VHEBQXMUSA-N
- SMILES
- C1(C=CC(/N=N/C2=CC=C(N)C=C2)=CC=1)N(CCO)CCO
- CAS DataBase Reference
- 12222 · 12222-69-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-3
- FDA UNII
- 7 GKC99M24T · 7GKC99M24T
- EPA Substance Registry System
- 2 · Ethanol, 2,2'-[[4-[(4-aminophenyl) azo]phenyl]imino]bis-(12222-69-4)
- Signal word
- Warning
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 1% (1 of 102) of reports.
Warning
H302 (56.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 102 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Chemical: Ethanol, 2,2'-[[4-[2-(4-aminophenyl)diazenyl]phenyl]imino]bis-
Ethanol, 2,2'-[[4-[(4-aminophenyl)azo]phenyl]imino]bis-: 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 CategoriesAcute Tox. 4 (56.9%)
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- hazard_code
- Xi
- safety_code
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Disperse Black 9
Household ProductsInformation on 14 consumer products that contain C.I. Disperse Black 9 in the following categories is provided:
Use ClassificationCosmetics -> Undefined function
General Manufacturing InformationEthanol, 2,2'-[[4-[2-(4-aminophenyl)diazenyl]phenyl]imino]bis-: ACTIVE
Preparation methods
Preparation4-Nitrobenzenamine diazo, and N,N-dihydroxyethylanilinecoupling, and then will the nitro reductive into amino.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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