2-Fluoro-5-nitrobenzoic acid

HCID 280997CAS 7304-32-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1cc([N+](=O)[O-])ccc1F
InChIKey
ICXSHFWYCHJILC-UHFFFAOYSA-N
Molecular formula
C7H4FNO4
Average molar mass
185.11 g/mol
Monoisotopic mass
185.01243583

Names & identifiers

Preferred name
2-Fluoro-5-nitrobenzoic acid
IUPAC
2-fluoro-5-nitrobenzoic acid
English name
2-Fluoro-5-nitrobenzoic acid
Molecular formula
C7H4FNO4
Molecular weight
185.11

Names & synonyms

2-Fluoro-5-nitrobenzoic acid7304-32-7DTXSID90299880RefChem:261003DTXCID00251015627-772-7InChI=1/C7H4FNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,112-Fluoro-5-nitrobenzoicacid2-fluoro-5-nitro-benzoic acidMFCD00134238Benzoic acid, 2-fluoro-5-nitro-SCHEMBL195145
Show more names
NSC 133450BUTTPARK 32\01-76RARECHEM AL BO 0445uoro-5-nitrobenzoic acid2-Fluoro-5-nitrobenzotc acid2-FLUORO-5-NITRROBENZOIC ACID2-Fluoro-5-nitrobenzoicAcid>3-Carboxy-4-fluoronitrobenzene2-Fluoro-5-nitrobenzoicacid98%
2-Fluoro-5-nitrobenzoic acid, 98%AC-3983AS-14478SY016914F0391EN300-27785AN-652/42287618F0001-1850

Database identifiers

CAS
7304-32-7
PubChem CID
280997
DTXSID
DTXSID90299880
EC Number
627-772-7
Nikkaji
J1.129.995D、J374.724G

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
83.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
142 · 142-144 °C (lit.)
Boiling point
337.7 · 337.7±27.0 °C(Predicted)
Density
1.568 · 1.568±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Soluble in chloroform, ethanol.
pka
2.54 · 2.54±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29163990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 3 items

Uses2-Fluoro-5-nitrobenzoic acid may be used in the synthesis of dibenz[b,f]oxazepin-11(10H)-ones, via the nucleophilic aromatic substitution (SNAr) of fluorine in 2-fluoro-5-nitrobenzoic acid with the OH of various 2-aminophenols on solid support, synthesis of substituted dibenzazocines on solid support, via SNAr of fluorine in 2-fluoro-5-nitrobenzoic acid with the OH function of the immobilized polysubstituted phenols, in the synthesis of oxazepines.

Uses2-Fluoro-5-nitrobenzoic acid may be used in the synthesis of:dibenz[b,f]oxazepin-11(10H)-ones, via the nucleophilic aromatic substitution (SNAr) of fluorine in 2-fluoro-5-nitrobenzoic acid with the OH of various 2-aminophenols on solid supportsynthesis of substituted dibenzazocines on solid support, via SNAr of fluorine in 2-fluoro-5-nitrobenzoic acid with the OH function of the immobilized polysubstituted phenolsin the synthesis of oxazepines

General Description2-Fluoro-5-nitrobenzoic acid is reported to react with an aldehyde, isonitrile and a primary amine tethered to a Boc-protected internal amino or hydroxyl nucleophile, to afford the Ugi product.

Upstream & downstream products

Suppliers50 total

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

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Linked notes

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