3-Fluoro-2-nitrobenzoic acid

Base Information

• Chemical Name: 3-Fluoro-2-nitrobenzoic acid
• CAS No.: 1000339-51-4
• Molecular Formula: C7H4FNO4
• Molecular Weight: 185.11
• Hs Code.: 2916399090
• European Community (EC) Number: 630-243-3
• DSSTox Substance ID: DTXSID80596451
• Wikidata: Q72475232
• Mol file: 1000339-51-4.mol

Synonyms:3-Fluoro-2-nitrobenzoic acid;1000339-51-4;3-Fluoro-2-nitro-benzoic acid;3-Fluoro-2-nitrobenzoicacid;Benzoic acid, 3-fluoro-2-nitro-;MFCD07368342;Fluornitrobenzoesaure;SCHEMBL940162;DTXSID80596451;DTGONJAUUOWYGB-UHFFFAOYSA-N;BCP08198;AKOS005259853;AM62230;CS-W001183;AC-28637;AS-19468;BL006012;SY011884;3-Fluoro-2-nitro-benzoic acid, AldrichCPR;A19500;J-512464;W-204319;2-(2-N,N-DIPROPYLAMINOETHYL)-6-NITROPHENYLACETICACID

Chemical Property of 3-Fluoro-2-nitrobenzoic acid

Chemical Property:

• Boiling Point: 354.2 °C at 760 mmHg
• PKA: 1.85±0.10(Predicted)
• Flash Point: 168 °C
• PSA: 83.12000
• Density: 1.568 g/cm³
• LogP: 1.95530
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 185.01243577
• Heavy Atom Count: 13
• Complexity: 227

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Fluoro-2-nitrobenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)[N+](=O)[O-])C(=O)O