Home > Compound List > Compound details
202073-14-1 molecular structure
click picture or here to close

4-fluoro-N-[(3-methoxyphenyl)methylidene]aniline

ChemBase ID: 135804
Molecular Formular: C14H12FNO
Molecular Mass: 229.2495832
Monoisotopic Mass: 229.09029223
SMILES and InChIs

SMILES:
COc1cccc(c1)/C=N/c1ccc(cc1)F
Canonical SMILES:
COc1cccc(c1)/C=N/c1ccc(cc1)F
InChI:
InChI=1S/C14H12FNO/c1-17-14-4-2-3-11(9-14)10-16-13-7-5-12(15)6-8-13/h2-10H,1H3
InChIKey:
LTYSYYBPLPAZGI-UHFFFAOYSA-N

Cite this record

CBID:135804 http://www.chembase.cn/molecule-135804.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-fluoro-N-[(3-methoxyphenyl)methylidene]aniline
IUPAC Traditional name
4-fluoro-N-[(3-methoxyphenyl)methylidene]aniline
Synonyms
4-Fluoro-N-(3-methoxybenzylidene)aniline
N-(3-Methoxybenzylidene)-4-fluoroaniline
4-氟代-N-(3-甲氧基亚苄基)苯胺
N-(3-甲氧基亚苄基)-4-氟苯胺
CAS Number
202073-14-1
MDL Number
MFCD01972734
PubChem SID
162230075
24883377
PubChem CID
932085

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
645125 external link Add to cart Please log in.
Data Source Data ID
PubChem 932085 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8321636  LogD (pH = 7.4) 3.8325326 
Log P 3.8325374  Molar Refractivity 68.0672 cm3
Polarizability 24.624739 Å3 Polar Surface Area 21.59 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
Density
1.181 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.622 expand Show data source
European Hazard Symbols
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
37/38-41 expand Show data source
Safety Statements
26-39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H315-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
96% expand Show data source
Linear Formula
CH3OC6H4CH=NC6H4F expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle