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3619-22-5 molecular structure
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4-methylbenzohydrazide

ChemBase ID: 52550
Molecular Formular: C8H10N2O
Molecular Mass: 150.1778
Monoisotopic Mass: 150.07931295
SMILES and InChIs

SMILES:
c1(ccc(cc1)C)C(=O)NN
Canonical SMILES:
NNC(=O)c1ccc(cc1)C
InChI:
InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
InChIKey:
MFFVZXOPRXMVET-UHFFFAOYSA-N

Cite this record

CBID:52550 http://www.chembase.cn/molecule-52550.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methylbenzohydrazide
IUPAC Traditional name
benzoylhydrazine, P-methyl
Synonyms
p-Toluic acid hydrazide
4-TOLUIC HYDRAZIDE
p-Toluic hydrazide
4-Methylbenzhydrazide
对甲苯肼
对甲苯甲酰肼
CAS Number
3619-22-5
EC Number
222-815-2
MDL Number
MFCD00007607
Beilstein Number
607602
PubChem SID
162057313
24900162
PubChem CID
77174

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.685152  H Acceptors
H Donor LogD (pH = 5.5) 1.0398929 
LogD (pH = 7.4) 1.04082  Log P 1.0408318 
Molar Refractivity 44.6617 cm3 Polarizability 16.347212 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
115-118°C expand Show data source
116-118 °C(lit.) expand Show data source
116-118°C expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98+% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3C6H4CONHNH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05218774 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - T37001 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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