4'-Fluoro-3-nitrobenzanilide

HCID 765293CAS 33489-69-9
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1
InChIKey
YPRHMRVPFAHCJX-UHFFFAOYSA-N
Molecular formula
C13H9FN2O3
Average molar mass
260.22 g/mol
Monoisotopic mass
260.05972037

Names & identifiers

Preferred name
4'-Fluoro-3-nitrobenzanilide
IUPAC
N-(4-fluorophenyl)-3-nitrobenzamide
English name
N-(4-fluorophenyl)-3-nitrobenzamide
Molecular formula
C13H9FN2O3
Molecular weight
260.22

Names & synonyms

4'-FLUORO-3-NITROBENZANILIDERefChem:506115668-029-7N-(4-fluorophenyl)-3-nitrobenzamide33489-69-9MFCD000345403-Nitro-N-(4-fluorophenyl)benzamideCambridge id 5273148Oprea1_068642CBDivE_013120SCHEMBL8713931DTXSID90354165
Show more names
4 '- Fluoro-3-nitrobenzoyl anilineBenzamide, N-(4-fluorophenyl)-3-nitro-
YPRHMRVPFAHCJX-UHFFFAOYSA-NSTK259695AKOS000502065N-(4-fluorophenyl)-3-nitro-benzamideBS-28265DB-188439EU-0084431ST45015311

Database identifiers

CAS
33489-69-9
PubChem CID
765293
DTXSID
DTXSID90354165
EC Number
668-029-7
Nikkaji
J881.961K

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
74.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
19

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point
322.9 · 322.9±27.0 °C(Predicted)
Density
1.411 · 1.411±0.06 g/cm3(Predicted)
pka
11.51 · 11.51±0.70(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319
Precautionary statements
P264-P280i-P305+P351+P338-P337+P313

Chemistry & industry

Upstream & downstream products

Suppliers7 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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