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76195-82-9 molecular structure
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(2,4,6-trimethylphenyl)hydrazine hydrochloride

ChemBase ID: 21472
Molecular Formular: C9H15ClN2
Molecular Mass: 186.6818
Monoisotopic Mass: 186.09237617
SMILES and InChIs

SMILES:
c1c(cc(c(c1C)NN)C)C.Cl
Canonical SMILES:
NNc1c(C)cc(cc1C)C.Cl
InChI:
InChI=1S/C9H14N2.ClH/c1-6-4-7(2)9(11-10)8(3)5-6;/h4-5,11H,10H2,1-3H3;1H
InChIKey:
XFGPCULNJGZRTH-UHFFFAOYSA-N

Cite this record

CBID:21472 http://www.chembase.cn/molecule-21472.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,4,6-trimethylphenyl)hydrazine hydrochloride
IUPAC Traditional name
(2,4,6-trimethylphenyl)hydrazine hydrochloride
Synonyms
(2,4,6-trimethylphenyl)hydrazine hydrochloride
1-Mesitylhydrazine hydrochloride
2,4,6-Trimethylphenylhydrazine hydrochloride
2,4,6-Trimethylphenylhydrazine hydrochloride
2,4,6-三甲基苯肼
CAS Number
76195-82-9
MDL Number
MFCD00052268
PubChem SID
160984779
PubChem CID
2774883

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.64444  LogD (pH = 7.4) 2.900675 
Log P 2.9051526  Molar Refractivity 50.8883 cm3
Polarizability 18.204092 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
167-173 °C expand Show data source
167-173(dec.)°C expand Show data source
168 - 170°C expand Show data source
185°C(dec) expand Show data source
Hydrophobicity(logP)
0.0 expand Show data source
Storage Warning
TOXIC expand Show data source
Toxic/Harmful/Store under Argon expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
25 expand Show data source
Safety Statements
45 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301 expand Show data source
GHS Precautionary statements
P301 + P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Purity
95% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C9H14N2 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 683698 external link
Packaging
500 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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