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14064-21-2 molecular structure
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2-(furan-2-ylmethylidene)-1,1-dimethylhydrazine

ChemBase ID: 151236
Molecular Formular: C7H10N2O
Molecular Mass: 138.1671
Monoisotopic Mass: 138.07931295
SMILES and InChIs

SMILES:
CN(C)/N=C/c1ccco1
Canonical SMILES:
CN(/N=C/c1ccco1)C
InChI:
InChI=1S/C7H10N2O/c1-9(2)8-6-7-4-3-5-10-7/h3-6H,1-2H3
InChIKey:
DURWBNUASAZMSN-UHFFFAOYSA-N

Cite this record

CBID:151236 http://www.chembase.cn/molecule-151236.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(furan-2-ylmethylidene)-1,1-dimethylhydrazine
IUPAC Traditional name
2-(furan-2-ylmethylidene)-1,1-dimethylhydrazine
Synonyms
Furfural dimethylhydrazone
2-Furaldehyde dimethylhydrazone
2-Furaldehyde 2,2-dimethylhydrazone
Furfural 2,2-dimethyl hydrazone
2-糠醛 2,2-二甲基腙
2-糠醛二甲基腙
2-糠醛 2,2-二甲基腙
CAS Number
14064-21-2
MDL Number
MFCD00010685
PubChem SID
24857485
162245392
PubChem CID
5324609

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5324609 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6278885  LogD (pH = 7.4) 0.62795 
Log P 0.6279508  Molar Refractivity 40.1834 cm3
Polarizability 14.864464 Å3 Polar Surface Area 28.74 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
69°C/2mm expand Show data source
98 °C/9.5 mmHg(lit.) expand Show data source
Flash Point
195.8 °F expand Show data source
91 °C expand Show data source
92°C(198°F) expand Show data source
Density
1.042 g/mL at 25 °C(lit.) expand Show data source
1.048 expand Show data source
Refractive Index
1.5800 expand Show data source
n20/D 1.578(lit.) expand Show data source
European Hazard Symbols
X expand Show data source
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
22-36/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
26-36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H227 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280H-P305+P351+P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C7H10N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 290769 external link
Packaging
50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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