Basic information
- CAS
347-81-9- Standard SMILES
O=C(Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
IKNWALBEQFNHIW-UHFFFAOYSA-N- Molecular formula
- C13H9FN2O3
- Average molar mass
- 260.22 g/mol
- Monoisotopic mass
- 260.05972037
Names & identifiers
- Preferred name
- 4'-Fluoro-4-nitrobenzanilide
- IUPAC
- N-(4-fluorophenyl)-4-nitrobenzamide
- English name
- N-(4-Fluorophenyl)-4-nitrobenzaMide, 97%
- Molecular formula
- C13H9FN2O3
- Molecular weight
- 260.22
Names & synonyms
4'-FLUORO-4-NITROBENZANILIDERefChem:506120659-199-3N-(4-fluorophenyl)-4-nitrobenzamide347-81-9MFCD00171570Benzamide, N-(4-fluorophenyl)-4-nitro-NSC204252CBMicro_009556Oprea1_364433Oprea1_826377SCHEMBL8711539
Show more names
ST5437604ZINC00290640BIM-0009532.P001
DTXSID10308463ALBB-023437SMSF0005380STK0390824-Nitro-N-(4-fluorophenyl)benzamideAKOS002961173N-(4-fluorophenyl)-4-nitro-benzamideCB12706
Database identifiers
- CAS
347-81-9- PubChem CID
- 306568
- DTXSID
DTXSID10308463- EC Number
- 659-199-3
- Nikkaji
- J881.966A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
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-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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