Basic information
- CAS
6708-61-8- Standard SMILES
O=[N+]([O-])c1ccc(N=NNc2ccc(N=Nc3ccccc3)cc2)c2ccccc12- InChIKey
XXHDVJVLFBXOGN-UHFFFAOYSA-N- Molecular formula
- C22H16N6O2
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.13347377
Names & identifiers
- Preferred name
- 1-Triazene, 1-(4-nitro-1-naphthalenyl)-3-(4-(2-phenyldiazenyl)phenyl)-
- IUPAC
- N-[(4-nitronaphthalen-1-yl)diazenyl]-4-phenyldiazenylaniline
- English name
- Cadion 2B
- Molecular formula
- C22H16N6O2
- Molecular weight
- 396.4
Names & synonyms
1-Triazene, 1-(4-nitro-1-naphthalenyl)-3-(4-(2-phenyldiazenyl)phenyl)-1-Triazene, 1-(4-nitro-1-naphthalenyl)-3-[4-(2-phenyldiazenyl)phenyl]-RefChem:436849CADION 2B6708-61-81-Triazene, 1-(4-nitro-1-naphthalenyl)-3-[4-(phenylazo)phenyl]-N-[(4-nitronaphthalen-1-yl)diazenyl]-4-phenyldiazenylanilineXEO4Q15KZINSC-664721-Triazene, 1-(4-nitro-1-naphthalenyl)-3-(4-(phenylazo)phenyl)-1-(4-Nitro-1-naphthalenyl)-3-[4-(2-phenyldiazenyl)phenyl]-1-triazene1-(4-NITRO-1-NAPHTHALENYL)-3-(4-(2-PHENYLDIAZENYL)PHENYL)-1-TRIAZENE
Show more names
4-(4-Nitro-1-naphthyl-2-triazeno)azobenzene4-[3-(4-Nitro-1-naphtyl)-2-triazeno]azobenzeneCadion 2B 4-(4-Nitro-1-naphthyl-2-triazeno)azobenzene1-?(4-?Nitro-?1-?naphthalenyl)?-?3-?[4-?(2-?phenyldiazenyl)?phenyl]?-?1-?triazene
NSC66472NSC 66472UNII-XEO4Q15KZIDTXSID1064457XXHDVJVLFBXOGN-UHFFFAOYSA-NMFCD018634793-(4-Nitronaphthalen-1-yl)-1-[4-(phenyldiazenyl)phenyl]triaz-1-ene
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 607
Physicochemical properties
- Boiling point
- 603.8 · 603.8±65.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- -4.97 · -4.97±0.50(Predicted)
- InChI
- InChI=1S/C22H16N6O2/c29-28(30)22-15-14-21(19-8-4-5-9-20(19)22)26-27-25-18-12-10-17(11-13-18)24-23-16-6-2-1-3-7-16/h1-15H,(H,25,26)
- InChIKey
- XXHDVJVLFBXOGN-UHFFFAOYSA-N
- SMILES
- N(C1=C2C(C=CC=C2)=C([N+]([O-])=O)C=C1)=NNC1=CC=C(N=NC2=CC=CC=C2)C=C1
- FDA UNII
- 4 Q15KZI · XEO4Q15KZI
- EPA Substance Registry System
- 1 · 1-Triazene, 1-(4-nitro-1-naphthalenyl)-3-[4-(phenylazo)phenyl]- (6708-61-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Triazene, 1-(4-nitro-1-naphthalenyl)-3-[4-(2-phenyldiazenyl)phenyl]-: ACTIVE
Suppliers24 total
怀化元研达生物技术有限责任公司18711085600 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
Aladdin Scientific[email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
台州川旭医药科技有限公司[email protected] · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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