Basic information
- CAS
252573-77-6- Standard SMILES
Oc1ccccc1C=Nc1ccc(F)cc1- InChIKey
COFLOZFCNFCJFM-UHFFFAOYSA-N- Molecular formula
- C13H10FNO
- Average molar mass
- 215.22 g/mol
- Monoisotopic mass
- 215.07464211
Overview
See also: N-(2-Hydroxybenzylidene)-4-fluoroaniline (annotation moved to).
Names & identifiers
- Preferred name
- 4-Fluoro-N-salicylideneaniline
- IUPAC
- 2-[(4-fluorophenyl)iminomethyl]phenol
- English name
- 2-{[(4-fluorophenyl)imino]methyl}phenol
- Molecular formula
- C13H10FNO
- Molecular weight
- 215.22
Names & synonyms
3382-62-54-Fluoro-N-salicylideneaniline252573-77-6Phenol, 2-[[(4-fluorophenyl)imino]methyl]-2-(((4-Fluorophenyl)imino)methyl)phenol2-[(E)-[(4-Fluorophenyl)imino]methyl]phenol2-[(4-fluorophenyl)iminomethyl]phenol4-Fluoro-N-salicylalanilineMFCD000200902-{(E)-[(4-fluorophenyl)imino]methyl}phenol2-{[(4-fluorophenyl)imino]methyl}phenolEzetimibe Impurity 107
Show more names
4-Fluoro-N-salicylideneaniline>4-Fluoro-N-salicylideneaniline2-(((4-fluorophenyl)isoamino)methyl)benzenephenol6-[(4-fluoroanilino)methylidene]cyclohexa-2,4-dien-1-one
WP8EC65NVCCBDivE_0148632-[[(4-Fluorophenyl)imino]methyl]phenolSCHEMBL11404064HMS551D04(E)-2-(((4-fluorophenyl)imino)methyl)phenolAKOS004906528SR-01000643168-1
Database identifiers
- CAS
252573-77-6、3382-62-5
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 82 to · 82.0 to 86.0 °C
- Boiling point
- 355.417 · 355.417±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.134 · 1.134±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.56 · 10.56
- form
- powder to crystal
- color
- Light orange to Yellow to Green
- λmax
- 349 nm · 349nm(MeOH)(lit.)
- CAS DataBase Reference
- 3382 · 3382-62-5
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2925.29.9000
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H319-H302-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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