Basic information
- CAS
131-22-6- Standard SMILES
Nc1ccc(N=Nc2ccccc2)c2ccccc12- InChIKey
IICHURGZQPGTRD-UHFFFAOYSA-N- Molecular formula
- C16H13N3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.11094742
Names & identifiers
- Preferred name
- 1-Naphthalenamine, 4-(phenylazo)-
- IUPAC
- 4-phenyldiazenylnaphthalen-1-amine
- English name
- 4-Phenylazo-1-naphthylamine
- Molecular formula
- C16H13N3
- Molecular weight
- 247.29
Names & synonyms
4-Phenylazo-1-naphthylamine4-(Phenylazo)-1-naphthylaminealpha-Naphthyl red4-Benzeneazo-1-naphthylamine1-Naphthalenamine, 4-(2-phenyldiazenyl)-1-Naphthalenamine, 4-(phenylazo)-.alpha.-Naphthyl red1-Naphthylamine, 4-(phenylazo)-Naphthalene, 1-phenylazo-4-amino-Phenylazo alpha-naphthylaminePhenylazo-alpha-naphthylamineNSC 13974
Show more names
BNACI NO 11350NAPHTHYL REDAURORA KA-7777A-NAPHTHYL REDnubianyellowtbSOLVENT YELLOW 4Nubian Yellow TB
4-Benzene-azo-alpha-naphthylamineQY2YSU7Y7MEINECS 205-018-4BRN 0747436NSC-13974DTXSID00596154-16-00-00546 (Beilstein Handbook Reference)4-(PHENYLAZO)-.ALPHA.-NAPHTHYLAMINE
Database identifiers
- CAS
131-22-6- PubChem CID
- 8562
- DTXSID
DTXSID0059615- ChEMBL
CHEMBL1609090、CHEMBL4296875- UNII
- QY2YSU7Y7M
- EC Number
- 205-018-4
- Nikkaji
- J10.015C、J485.146C
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
Chemical ClassesDyes -> Azo Dyes
SpringerMaterials PropertiesDensity
Vapor Pressure0.00000021 [mmHg]
Physical DescriptionDeep brown powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 124 °C · 124°C
- Boiling point
- 380.33 °C · 380.33°C (rough estimate)
- Density
- 1.1633 · 1.1633 (rough estimate)
- refractive index
- 1.647 · 1.6470 (estimate)
- solubility
- Solubility Virtually insoluble in water; slightly soluble in ethanol; soluble in acetone, benzene,ethyl acetate, toluene, xylene
- Colour Index
- 11350 · 11350
- pka
- 2.7 · 2.70(at 25℃)
- form
- crystals
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See alpha-Naphthylamine.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QJ0360000
- hs_code
- 2927.00.5000
- Toxicity
- mma-sat 500 mg/plate AEMIDF 42,641,81
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Naphthalenamine, 4-(2-phenyldiazenyl)-: ACTIVE
Applications
Uses4-PHENYLAZO-1-NAPHTHYLAMINE is used as acid-base indicator. pH 4.0 (red) to 5.0 (orange).
Preparation methods
Preparationaniline diazotization, and Naphthalen-1-amine coupling.
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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