Basic information
- CAS
539-17-3- Standard SMILES
CN(C)c1ccc(N=Nc2ccc(N)cc2)cc1- InChIKey
BVRIUXYMUSKBHG-UHFFFAOYSA-N- Molecular formula
- C14H16N4
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.13749651
Names & identifiers
- Preferred name
- 4-((4-aminophenyl)azo)-N,N-dimethylaniline
- IUPAC
- 4-[[4-(dimethylamino)phenyl]diazenyl]aniline
- English name
- N,N-Dimethyl-4,4'-azodianiline
- Molecular formula
- C14H16N4
- Molecular weight
- 240.3
Names & synonyms
4-((4-Aminophenyl)azo)-N,N-dimethylaniline4-[(4-aminophenyl)azo]-N,N-dimethylanilineDTXSID5060229Benzenamine, 4-(2-(4-aminophenyl)diazenyl)-N,N-dimethyl-Benzenamine, 4-[2-(4-aminophenyl)diazenyl]-N,N-dimethyl-RefChem:509332DTXCID4041525208-712-5539-17-3N,n-dimethyl-4,4'-azodianilineN,N-Dimethyl-4,4-azodianilineAcetile Diazo Black N
Show more names
4-((4-aminophenyl)diazenyl)-N,N-dimethylanilineCI 110254’-amino-dabDISPERSE BLACK 3p,p′-DMPA-anilinec.i.disperseblack3acetilediazoblacknacetilediazoblackr
4-Amino-4'-dimethylaminoazobenzeneBenzenamine, 4-[(4-aminophenyl)azo]-N,N-dimethyl-Acetile Diazo Black R4'-Amino-dabC.I. DISPERSE BLACK 3ADABSupracet Diazo Black ADiazo Nero Microsetile G
Database identifiers
- CAS
539-17-3- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 190 · 190-195 °C (dec.)
- Boiling point
- 373.02 °C · 373.02°C (rough estimate)
- Density
- 1.0236 · 1.0236 (rough estimate)
- refractive index
- 1.485 · 1.4850 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 3.43 · 3.43±0.10(Predicted)
- color
- Yellow to Amber to Dark red
- Water Solubility
- 120.2 ug/L · 120.2ug/L(25 ºC)
- BRN
- 748253 · 748253
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C14H16N4/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,15H2,1-2H3/b17-16+
- InChIKey
- BVRIUXYMUSKBHG-WUKNDPDISA-N
- SMILES
- CN(C)c1ccc(cc1)\N=N\c2ccc(N)cc2
- CAS DataBase Reference
- 539 · 539-17-3(CAS DataBase Reference)
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8-9-23
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BX5020000
- hs_code
- 29270000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4-[2-(4-aminophenyl)diazenyl]-N,N-dimethyl-: ACTIVE
Applications
UsesN,N-Dimethyl-4,4''-azodianiline is a disperse dye. Dyes and metabolites.
Preparation methods
Preparation4-Nitrobenzenamine diazo, and N,N-dimethylanilinecoupling, and then will the nitro reductive into amino.
Upstream & downstream products
Upstream raw materials
Suppliers52 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Related reactions
1 records
Compound notes
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