Basic information
- CAS
41576-40-3- Standard SMILES
Cc1cc(N=Nc2ccccc2C)ccc1N- InChIKey
PFRYFZZSECNQOL-UHFFFAOYSA-N- Molecular formula
- C14H15N3
- Average molar mass
- 225.29 g/mol
- Monoisotopic mass
- 225.12659749
Overview
o-Aminoazotoluene can cause cancer according to an independent committee of scientific and health experts.
Names & identifiers
- Preferred name
- o-Aminoazotoluene
- IUPAC
- 2-methyl-4-[(2-methylphenyl)diazenyl]aniline
- English name
- O-Aminoazotoluene
- Molecular formula
- C14H15N3
- Molecular weight
- 225.29
Names & synonyms
o-Aminoazotoluene97-56-32-AminoazotolueneFast Garnet GBC BaseSolvent Yellow 3Fast Yellow ATC.I. Solvent Yellow 3ToluazotoluidineSomalia Yellow RFat Yellow BAminoazotolueneOrganol Yellow 2T
Show more names
2-Methyl-5-(p-tolyldiazenyl)anilineo-ATaat[qr]oaat[qr]o-at[qr]CI 11160
o-Aminoazotoluol4-Amino-2',3-dimethylazobenzeneSudan Yellow RRAWaxakol Yellow NL4-(o-Tolylazo)-o-toluidineOAATo-Amidoazotoluolo-Aminoazotolueno
Database identifiers
- CAS
41576-40-3、61550-68-3、97-56-3- PubChem CID
- 7340
- DTXSID
DTXSID1020069- ChEMBL
CHEMBL1701225、CHEMBL83552- ChEBI
CHEBI:82285- UNII
- QHZ900P7ZA
- Nikkaji
- J5.158F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section155.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1020069]
Physicochemical properties
- Melting point
- 101 · 101-102 °C
- Boiling point
- 356.8 °C · 356.8°C (rough estimate)
- Density
- 1.1303 · 1.1303 (rough estimate)
- refractive index
- 1.577 · 1.5770 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- Colour Index
- 11160 · 11160
- form
- Powder
- pka
- 3.01 · 3.01±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XU8800000
- ridadr
- UN 1789 8/PG 2
- hs_code
- 29270000
- Toxicity
- LD50 oral in dog: 300mg/kg
- risk_code
- 45-22-43-35
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- T
- safety_code
- 53-45-36/37/39-26
- hazard_class
- 6.1
- Storage Class
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Hazard statements
- H301-H315-H317-H319-H350
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 OralCarc. 1BEye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P201-P202-P280-P301+P310-P302+P352-P305+P351+P338
- Hazardous Substances Data
- 97-56-3(Hazardous Substances Data)
Chemistry & industry
Pharmacology
Metabolism/Metabolites[2-methyl-4-(o-tolylazo)phenyl]amine has known human metabolites that include 4'-hydroxy-o-aminoazotoJuene, 2'-hydroxymethyl-3-raethyl-4-aminoazoberizene, and N-hydroxy-oaminoazotohiene.
Uses & manufacturing
UsesSubstance listed with specific concentration in tattoo ink and/or permanent make up according to EU Commission Regulation 2020/2081. The concentration limit (by weight) is 0.0005%.
Applications
UsesC.I. 11160
UsesColoring oils, fats and waxes; manufacture of pigments. Chemical intermediate for the production of dyes.
General DescriptionReddish-brown to golden crystals; orangish red powder. Odorless.
Preparation methods
Preparation(a) will Sodium nitrite (1 Moore) to join O-Methylaniline (8.5 Moore) and hydrochloric acid (1 Moore), the temperature is maintained at 28 ℃ below, until diazotization finish. Add a small amount of hydrochloric acid (about 0.2 Moore), and heating (40 ℃, 3 hours), in order to separate, with Sodium hydroxide for mercerization, and distillation reservoir. In order to get the refined products, usable alcohol recrystallization; (b) O-Methylanilinediazotization, and O-Methylanilinebase Methanesulfonic acid coupling, and then with Sodium hydroxide solution common boiling, hydrolysis off Methanesulfonic acid base.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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