Basic information
- CAS
22026-39-7- Standard SMILES
NNC(=O)c1ccc2c(c1)OCO2- InChIKey
RAXBGBHBUFGWPG-UHFFFAOYSA-N- Molecular formula
- C8H8N2O3
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.05349212
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-5-carboxylic acid, hydrazide
- IUPAC
- 1,3-benzodioxole-5-carbohydrazide
- English name
- 3,4-Methylenedioxybenzhydrazide
- Molecular formula
- C8H8N2O3
- Molecular weight
- 180.16
Names & synonyms
22026-39-71,3-Benzodioxole-5-carbohydrazide3,4-Methylenedioxybenzoic acid hydrazide1,3-Benzodioxole-5-carboxylic acid, hydrazideDTXSID80176494Benzo(1,3)dioxole-5-carboxylic acid hydrazideBenzo[1,3]dioxole-5-carboxylic acid hydrazideRefChem:486415DTXCID90989853,4-MethylenedioxybenzhydrazideBenzo[d][1,3]dioxole-5-carbohydrazidepiperonylic acid hydrazide
Show more names
NISTC22026397ASISCHEM D13389Methylenedioxybenzhydrazide1,3-Benzodithiole-5-carboxylic aid hdrazide
2H-1,3-benzodioxole-5-carbohydrazide3,4-(Methylenedioxy)benzhydrazideMFCD000605052H-benzo[d]1,3-dioxolane-5-carbohydrazide3,4-(Methylenedioxy)benzohydrazideOprea1_799286SCHEMBL133893CHEMBL1957530
Database identifiers
- CAS
22026-39-7- PubChem CID
- 89158
- DTXSID
DTXSID80176494- ChEMBL
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 174 °C · 174 °C
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- Water Solubility
- Slightly soluble in water.
- CAS DataBase Reference
- 22026 · 22026-39-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38-36
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
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
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Safety data
- risk_code
- 20/21/22-36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3,4-Methylenedioxybenzhydrazide can be used for development of neglected diseases drug candidates.
Upstream & downstream products
Downstream products
Suppliers71 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
INTATRADE GmbH
Related reactions
5 records
Compound notes
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