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118427-29-5 molecular structure
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[4-(propan-2-yl)phenyl]hydrazine hydrochloride

ChemBase ID: 92894
Molecular Formular: C9H15ClN2
Molecular Mass: 186.6818
Monoisotopic Mass: 186.09237617
SMILES and InChIs

SMILES:
N(c1ccc(cc1)C(C)C)N.Cl
Canonical SMILES:
NNc1ccc(cc1)C(C)C.Cl
InChI:
InChI=1S/C9H14N2.ClH/c1-7(2)8-3-5-9(11-10)6-4-8;/h3-7,11H,10H2,1-2H3;1H
InChIKey:
LMFPPUVGWDZXMB-UHFFFAOYSA-N

Cite this record

CBID:92894 http://www.chembase.cn/molecule-92894.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[4-(propan-2-yl)phenyl]hydrazine hydrochloride
IUPAC Traditional name
(4-isopropylphenyl)hydrazine hydrochloride
Synonyms
4-Isopropylphenylhydrazine hydrochloride
4-Isopropylphenylhydrazine hydrochloride
[4-(1-Methylethyl)phenyl]hydrazine Hydrochloride
(4-Isopropylphenyl)hydrazine Monohydrochloride
4-Isopropylphenylhydrazine, Hydrochloride
4-异丙基苯肼 盐酸盐
4-异丙基苯基肼.盐酸盐
CAS Number
118427-29-5
MDL Number
MFCD00013461
PubChem SID
24862307
162079592
PubChem CID
2733248

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3691788  LogD (pH = 7.4) 2.6058645 
Log P 2.6098976  Molar Refractivity 49.9555 cm3
Polarizability 18.362646 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)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
Light Brown Solid expand Show data source
Melting Point
183-185°C expand Show data source
203 °C (dec.)(lit.) expand Show data source
203°C dec. expand Show data source
207-213°C expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) 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
Risk Statements
20/21/22-36/37/38 expand Show data source
22-36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
H302-H312-H315-H319-H332-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(CH3)2CHC6H4NHNH2·HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 362395 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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