YELLOW AB
- Iupac Name：1-phenyldiazenylnaphthalen-2-amine
- CAS No.: 85-84-7
- Molecular Weight：247.301
- Modify Date.: 2022-10-26 20:33
- Introduction: Orange or red platelets. Insoluble in water; soluble in alcohol and oils.
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1. Names and Identifiers
- 1.1 Name
- YELLOW AB
- 1.2 Synonyms
1-(phenylazo)-2-naphthalenamin 1-(phenylazo)-2-naphthalenamine 1-(phenylazo)-2-naphthylamin 1-benzeneazo-2-amino-naphthalene 1-benzeneazo-2-naphthylamine 1-benzene-azo-beta-naphthylamine 1-phenylazo-[2]naphthylamine 1-phenylazo-2-aminonaphthalene 1-phenylazonaphthalen-2-amine 1-phenylazo-naphthalen-2-ylamine 2’-amino-azobenzene1-naphthalen 2-amino-1-phenylazonaphthalene C Yellow 3 C. I. SOLVENT YELLOW 5 (YELLOW AB) C.I. Food Yellow 10 C.I. Solvent Yellow 5 Cerisol Yellow AB Dolkwal Yellow AB Grasal Yellow Jaune AB OIL YELLOW AB Solvent Yellow 5 Yellow No. 2
- 1.3 CAS No.
- 85-84-7
- 1.4 CID
- 6824
- 1.5 EINECS(EC#)
- 201-636-3
- 1.6 Molecular Formula
- C16H13N3 (isomer)
- 1.7 Inchi
- InChI=1S/C16H13N3/c17-15-11-10-12-6-4-5-9-14(12)16(15)19-18-13-7-2-1-3-8-13/h1-11H,17H2
- 1.8 InChkey
- KLCDQSGLLRINHY-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)N
- 1.10 Isomers Smiles
- C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)N
2. Properties
- 2.1 Density
- 1.173
- 2.1 Melting point
- 102-104 DEG C
- 2.1 Boiling point
- 458.035°C at 760 mmHg
- 2.1 Refractive index
- 1.647
- 2.1 Flash Point
- 230.811°C
- 2.1 Precise Quality
- 247.11100
- 2.1 PSA
- 50.74000
- 2.1 logP
- 5.41860
- 2.1 Solubility
- 0.3mg/L(37 ºC)
- 2.2 AnalyticLaboratory Methods
- CHROMATOGRAPHIC SEPARATION & SPECTROPHOTOMETRIC DETERMINATION.
- 2.3 Chemical Properties
- Orange or red platelets. Insoluble in water; soluble in alcohol and oils.
- 2.4 Color/Form
- RED PLATELETS FROM ABS ALCOHOL
ORANGE CRYSTALS; ORANGE-RED PLATELETS
- 2.5 Decomposition
- When heated to decomposition it emits toxic fumes of /nitrogen oxide/.
- 2.6 pKa
- 1.87±0.10(Predicted)
- 2.7 Water Solubility
- INSOL IN WATER; VERY SOL IN ALC, ACETIC ACID; SOL IN CONCENTRATED SULFURIC ACID
SOL IN CARBON TETRACHLORIDE AND IN VEGETABLE OILS
- 2.8 Spectral Properties
- MAX ABSORPTION (ALCOHOL): 340 NM (LOG E= 3.9); 450 NM (LOG E= 4.2)
MAX ABSORPTION (CHLOROFORM): 434 NM
3. Use and Manufacturing
- 3.1 Methods of Manufacturing
- Formerly by coupling of diazotized aniline; with 2-naphthylamine;
- 3.2 Purification Methods
- Crystallise the dye from glacial acetic acid, acetic acid/water or ethanol. It forms Cu, Co and Ni salts. [Beilstein 16 H 369, 16 I 328, 16 II 193, 16 III 417, 16 IV 551.] YELLOW ABSupplier
- 3.3 Usage
- Biological stain.
4. Safety and Handling
- 4.1 Safety Statements
- Moderately toxic by ingestion and subcutaneous routes. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
- 4.1 Exposure Standards and Regulations
- ...DELISTED FOR INTERNAL USE IN 1959: FED REG 24, 883 (1959), CA 53; 12505A. DELISTED ALSO FOR EXTERNAL USE IN 1960.
- 4.2 Safety Profile
- Moderately toxic by ingestion and subcutaneous routes. Questionable carcinogen with experimental tumorigenic data. Mutation data reported.When heated to decomposition it emits toxic fumes of NOx.
- 4.3 Report
-
IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal No Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 8 (1975),p. 279.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
- 4.4 Safety
-
Moderately toxic by ingestion and subcutaneous routes. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
- 4.5 Specification
-
FD&C yellow No. 3 (CAS NO.85-84-7), its Synonyms are 1-(Phenylazo)-2-naphthalenamine ; 1-(Phenylazo)-2-naphthylamine ; 1-Benzene-azo-beta-naphthylamine ; 1-Benzeneazo-2-naphthylamine ; 1-Phenylazo-2-naphthylamine ; 2-Naphthalenamine, 1-(phenylazo)- ; 2-Naphthylamine, 1-(phenylazo)- ; A.F. Yellow No. 2 ; AF Yellow No. 2 .
- 4.6 Toxicity
-
| Organism |
Test Type |
Route |
Reported Dose (Normalized Dose) |
Effect |
Source |
| mouse |
LDLo |
oral |
1gm/kg (1000mg/kg) |
|
"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1315, 1986. |
| rabbit |
LDLo |
oral |
1gm/kg (1000mg/kg) |
|
Journal of Biological Chemistry. Vol. 27, Pg. 403, 1916. |
| rabbit |
LDLo |
subcutaneous |
1gm/kg (1000mg/kg) |
|
Journal of Biological Chemistry. Vol. 27, Pg. 403, 1916. |
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
6. Synthesis Route
85-84-7Total: 5 Synthesis Route
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-
|
 |
|
Literatures:
Chemische Berichte, , vol. 20, p. 2896
Chemische Berichte, , vol. 18, p. 2422
Chemische Berichte, , vol. 22, p. 1376
Chemische Berichte, , vol. 18, p. 2869
Yield: null
|
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8. Other Information
- 8.0 Chemical Properties
- Orange or red platelets. Insoluble in water; soluble in alcohol and oils.
- 8.1 Uses
- Biological stain.
- 8.2 Uses
- 1-Phenylazo-2-naphthylamine is an azo-dye and toxic agrochemical.
- 8.3 Preparation
- Aniline diazo, and Naphthalen-2-amine?coupling.
- 8.4 Hazard
- Consult regulations before using in food products. Questionable carcinogen.
- 8.5 Safety Profile
- Moderately toxic by ingestion and subcutaneous routes. Questionable carcinogen with experimental tumorigenic data. Mutation data reported.When heated to decomposition it emits toxic fumes of NOx.
- 8.6 Purification Methods
- Crystallise the dye from glacial acetic acid, acetic acid/water or ethanol. It forms Cu, Co and Ni salts. [Beilstein 16 H 369, 16 I 328, 16 II 193, 16 III 417, 16 IV 551.]
- 8.7 Properties and Applications
- red light yellow. Light yellow powder. Soluble in ethanol for orange, insoluble in water. From ethanol to recrystallizate out in the melting point of 104 ℃ products. The strong sulfuric acid for blu-ray purple, diluted solution for red, and then have the orange precipitation. The dye alcohol solution with hydrochloric acid for red; Sodium hydroxide solution to join the same color. And C.I.Solvent yellow 5 the same chemical structure.
- 8.8 用途
-
C.I. Food Yellow 10, also known as Fast Yellow AB or Acid Yellow, is an azo dye used primarily as a food dye that is now delisted in both Europe and USA and is forbidden if used in foods and drinks. Ungraded products supplied by Spectrum are indicative of a grade suitable for general industrial use or research purposes and typically are not suitable for human consumption or therapeutic use.
9. Computational chemical data
- Molecular Weight: 247.301g/mol
- Molecular Formula: C16H13N3
- Compound Is Canonicalized: True
- XLogP3-AA: 4.3
- Exact Mass: 247.110947427
- Monoisotopic Mass: 247.110947427
- Complexity: 309
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 50.7
- Heavy Atom Count: 19
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccB7AAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAHAAYAAAADAiBGAAwwMBAAACCAiRCQACCAAAgAgAIiAAAdIgIYCKAkZGAIABgkAAIyAcQgIAOiAAAQAASACAQAACAACQAQAAAAAAAAA==
10. Recommended Suppliers
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- Tel:+86-311-89278944
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