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7400-27-3 molecular structure
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tert-butylhydrazine hydrochloride

ChemBase ID: 85605
Molecular Formular: C4H13ClN2
Molecular Mass: 124.61242
Monoisotopic Mass: 124.07672611
SMILES and InChIs

SMILES:
N(C(C)(C)C)N.Cl
Canonical SMILES:
NNC(C)(C)C.Cl
InChI:
InChI=1S/C4H12N2.ClH/c1-4(2,3)6-5;/h6H,5H2,1-3H3;1H
InChIKey:
DDPWVABNMBRBFI-UHFFFAOYSA-N

Cite this record

CBID:85605 http://www.chembase.cn/molecule-85605.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butylhydrazine hydrochloride
IUPAC Traditional name
tert-butylhydrazine hydrochloride
Synonyms
tert-Butylhydrazine hydrochloride
t-Butylhydrazine.HCl
1-(tert-Butyl)hydrazine hydrochloride
tert-butylhydrazine hydrochloride
叔丁基肼 盐酸盐
叔丁基肼盐酸盐
CAS Number
7400-27-3
EC Number
231-001-6
MDL Number
MFCD00012947
Beilstein Number
3651224
PubChem SID
24851938
24851664
162072721
PubChem CID
81889

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.4205638  LogD (pH = 7.4) 0.22706528 
Log P 0.24384537  Molar Refractivity 38.7013 cm3
Polarizability 10.95869 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
187 - 189°C expand Show data source
191-194 °C(lit.) expand Show data source
ca 192°C dec. expand Show data source
Hydrophobicity(logP)
0.173 expand Show data source
Storage Warning
Hygroscopic expand Show data source
Irritant expand Show data source
RTECS
LU4220000 expand Show data source
MV2841000 expand Show data source
European Hazard Symbols
X 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
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥97.0% (AT) expand Show data source
95% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
(CH3)3CNHNH2 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 194972 external link
Packaging
5, 100, 500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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