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123333-92-6 molecular structure
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(2,3-dimethylphenyl)hydrazine hydrate hydrochloride

ChemBase ID: 151476
Molecular Formular: C8H15ClN2O
Molecular Mass: 190.6705
Monoisotopic Mass: 190.08729079
SMILES and InChIs

SMILES:
Cc1cccc(c1C)NN.O.Cl
Canonical SMILES:
NNc1cccc(c1C)C.O.Cl
InChI:
InChI=1S/C8H12N2.ClH.H2O/c1-6-4-3-5-8(10-9)7(6)2;;/h3-5,10H,9H2,1-2H3;1H;1H2
InChIKey:
CWLHVQVBNFKKSG-UHFFFAOYSA-N

Cite this record

CBID:151476 http://www.chembase.cn/molecule-151476.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,3-dimethylphenyl)hydrazine hydrate hydrochloride
IUPAC Traditional name
(2,3-dimethylphenyl)hydrazine hydrate hydrochloride
Synonyms
2,3-Dimethylphenylhydrazine hydrochloride hydrate
2,3-二甲基苯肼 盐酸盐 水合物
CAS Number
123333-92-6
MDL Number
MFCD00150150
PubChem SID
162245629
24859434
PubChem CID
16212043

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
324272 external link Add to cart Please log in.
Data Source Data ID
PubChem 16212043 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.136637  LogD (pH = 7.4) 2.3873806 
Log P 2.3917313  Molar Refractivity 45.8471 cm3
Polarizability 16.438433 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
210 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Linear Formula
(CH3)2C6H3NHNH2·HCl·xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 324272 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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