Basic information
- CAS
1807-68-7- Standard SMILES
CC1(C)CC(=O)C(=[N+]=[N-])C(=O)C1- InChIKey
DMOYBIUAWCVPLF-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422756
Names & identifiers
- Preferred name
- Diazodimedone
- IUPAC
- 2-diazo-5,5-dimethylcyclohexane-1,3-dione
- English name
- DIAZODIMEDONE
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
Diazodimedone1807-68-7DTXSID50326565RefChem:336964DTXCID402776782-diazo-5,5-dimethylcyclohexane-1,3-dioneNSC601821MFCD010892502-diazo-5,5-dimethyl-cyclohexane-1,3-dione1,3-Cyclohexanedione, 2-diazo-5,5-dimethyl-5,5-dimethyl-2-(2-Diazo-5,5-dimethyl-1,3-cyclohexanedione
Show more names
Diazodimedone - [D6877]Diazodimedone >=98.0% (HPLC)
SCHEMBL1486117CHEMBL1971331DMOYBIUAWCVPLF-UHFFFAOYSA-NDiazodimedone, >=98.0% (HPLC)STL325612AKOS022101866NSC-601821NCI60_004536
Database identifiers
- CAS
1807-68-7- PubChem CID
- 353445
- DTXSID
DTXSID50326565- ChEMBL
CHEMBL1971331- Nikkaji
- J371.172B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 105 · 105-108 °C
- form
- crystals
- InChI
- 1S/C8H10N2O2/c1-8(2)3-5(11)7(10-9)6(12)4-8/h3-4H2,1-2H3
- InChIKey
- DMOYBIUAWCVPLF-UHFFFAOYSA-N
- SMILES
- CC1(C)CC(=O)C(=[N+]=[N-])C(=O)C1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Suppliers5 total
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]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海志信生物医药科技有限公司18701958033 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
3 records
Compound notes
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