Basic information
- CAS
5284-79-7- Standard SMILES
CC1CC(=Cc2ccc(N=[N+]=[N-])cc2)C(=O)C(=Cc2ccc(N=[N+]=[N-])cc2)C1- InChIKey
MLIWQXBKMZNZNF-UHFFFAOYSA-N- Molecular formula
- C21H18N6O
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.15420922
Overview
See other relationships...
Names & identifiers
- Preferred name
- Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-4-methyl-
- IUPAC
- 2,6-bis[(4-azidophenyl)methylidene]-4-methylcyclohexan-1-one
- English name
- 2,6-Bis(4-azidobenzylidene)-4-methylcyclohexanone
- Molecular formula
- C21H18N6O
- Molecular weight
- 370.41
Names & synonyms
5284-79-7Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-4-methyl-2,6-Di(4-azidobenzal)-4-methylcyclohexanone2,6-bis[(4-azidophenyl)methylidene]-4-methylcyclohexan-1-one2,6-Bis(4-azidobenzylidene)-4-methylcyclohexanone2,6-Bis[(4-azidophenyl)methylene]-4-methylcyclohexanoneSCHEMBL13858828MLIWQXBKMZNZNF-UHFFFAOYSA-NAKOS025243185DB-422540NS000325962,6-bis-(4' -azidobenzal)-4-methylcyclohexanone
Show more names
BAC-MCompd.Einecs 226-117-92 6-DI(P-AZIDOBENZAL)-4-METHYLCYCLOHEXANONE2,6-Bis(p-azidobenzal)-4-methylcyclohexanone2,6-Bis(4-azidobenzal)-4-methylcyclohexanone2,6-DI-(P-AZODOBENZAL)-4-METHYLCYCLOHEXANONE2,6-Bis(4'-azidobenzal)-4-methylcyclohexanone2 6-DI(P-AZIDOBENZAL)-4-METHYLCYCLOHEXANONE 98%
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 668
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 124 · 124-126 °C(lit.)
- storage temp.
- 2 · 2-8°C
- InChI
- InChI=1S/C21H18N6O/c1-14-10-17(12-15-2-6-19(7-3-15)24-26-22)21(28)18(11-14)13-16-4-8-20(9-5-16)25-27-23/h2-9,12-14H,10-11H2,1H3/b17-12+,18-13+
- InChIKey
- MLIWQXBKMZNZNF-PWDIZTEBSA-N
- SMILES
- C1(/CC(C/C(=C\C2C=CC(N=[N+]=[N-])=CC=2)/C/1=O)C)=C/C1=CC=C(N=[N+]=[N-])C=C1
- CAS DataBase Reference
- 5284 · 5284-79-7(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-4-methyl- (5284-79-7)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 228 · H228
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-4-methyl-
Safety data
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1325 4.1/PG 2
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_code
- F
- safety_code
- 16-33
- hazard_class
- 4.1
- packing_group
- III
- Hazard statements
- H228
- Precautionary statements
- P210-P240-P241-P280-P370+P378
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-4-methyl-: ACTIVE
Suppliers53 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
湖北广奥生物科技有限公司
Related reactions
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Compound notes
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