3-Bromo-2-methylbenzhydrazide
Basic information
- CAS
108485-07-0- Standard SMILES
Cc1c(Br)cccc1C(=O)NN- InChIKey
HAAKSCUEVFJSTN-UHFFFAOYSA-N- Molecular formula
- C8H9BrN2O
- Average molar mass
- 229.07 g/mol
- Monoisotopic mass
- 227.98983
Names & identifiers
- Preferred name
- 3-Bromo-2-methylbenzhydrazide
- IUPAC
- 3-bromo-2-methylbenzohydrazide
- English name
- 3-Bromo-2-methylbenzhydrazide
- Molecular formula
- C8H9BrN2O
- Molecular weight
- 229.07
Names & synonyms
3-bromo-2-methylbenzohydrazide108485-07-03-BROMO-2-METHYLBENZHYDRAZIDEMFCD034256753-bromo-2-methyl-benzohydrazideSCHEMBL18190399DTXSID40391565AKOS0148804893-Bromo-2-methylbenzoic acid hydrazideSB86549SY362496DB-022319
Show more names
Benzoic acid, 3-bromo-2-methyl-, hydrazideE85289F852446
Database identifiers
- CAS
108485-07-0- PubChem CID
- 3335019
- DTXSID
DTXSID40391565
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 157 · 157-158 °C(Solv: ethanol (64-17-5))
- Density
- 1.533 · 1.533±0.06 g/cm3(Predicted)
- pka
- 11.97 · 11.97±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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Related reactions
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Compound notes
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