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15332-10-2 molecular structure
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bis[(3-fluorophenyl)methylidene]hydrazine

ChemBase ID: 154277
Molecular Formular: C14H10F2N2
Molecular Mass: 244.2394064
Monoisotopic Mass: 244.08120477
SMILES and InChIs

SMILES:
c1cc(cc(c1)/C=N/N=C/c1cc(ccc1)F)F
Canonical SMILES:
Fc1cccc(c1)/C=N/N=C/c1cccc(c1)F
InChI:
InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H
InChIKey:
YYMCVDNIIFNDJK-UHFFFAOYSA-N

Cite this record

CBID:154277 http://www.chembase.cn/molecule-154277.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis[(3-fluorophenyl)methylidene]hydrazine
IUPAC Traditional name
bis[(3-fluorophenyl)methylidene]hydrazine
Synonyms
3,3′-Difluorobenzaldazine
DFB
CAS Number
15332-10-2
MDL Number
MFCD03653615
PubChem SID
24724457
162248416
PubChem CID
6604893

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
D0943 external link Add to cart Please log in.
Data Source Data ID
PubChem 6604893 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7256622  LogD (pH = 7.4) 3.7256622 
Log P 3.7256622  Molar Refractivity 68.231 cm3
Polarizability 24.359875 Å3 Polar Surface Area 24.72 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
DMSO: ~12 mg/mL expand Show data source
H2O: insoluble expand Show data source
Apperance
yellow solid expand Show data source
Storage Condition
desiccated expand Show data source
under inert gas expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
22-50/53 expand Show data source
Safety Statements
60-61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H400 expand Show data source
GHS Precautionary statements
P273 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Gene Information
human ... GRM5(2915) expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C14H10F2N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D0943 external link
Biochem/physiol Actions
Positive allosteric modulator of the metabotropic glutamate receptor mGluR5

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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