2-fluoro-3-nitrotoluene - CAS 437-86-5
Catalog: |
BB025461 |
Product Name: |
2-fluoro-3-nitrotoluene |
CAS: |
437-86-5 |
Synonyms: |
2-fluoro-1-methyl-3-nitrobenzene; 2-fluoro-1-methyl-3-nitrobenzene |
IUPAC Name: | 2-fluoro-1-methyl-3-nitrobenzene |
Description: | 2-fluoro-3-nitrotoluene (CAS# 437-86-5) is a useful research chemical. |
Molecular Weight: | 155.13 |
Molecular Formula: | C7H6FNO2 |
Canonical SMILES: | CC1=C(C(=CC=C1)[N+](=O)[O-])F |
InChI: | InChI=1S/C7H6FNO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3 |
InChI Key: | NBCNUIXYBLFJMI-UHFFFAOYSA-N |
Boiling Point: | 203.5 ℃ at 760 mmHg |
Purity: | > 98.0 % (GC) |
Density: | 1.18 g/cm3 |
MDL: | MFCD03412242 |
LogP: | 2.56550 |
GHS Hazard Statement: | H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113024384-A | Synthesis method of 2-fluoro-3-nitrobenzoic acid intermediate raw material | 20210316 |
WO-2020243423-A1 | Tead inhibitors and uses thereof | 20190531 |
WO-2020227484-A1 | Substituted benzimidazolone compounds | 20190509 |
WO-2020216378-A1 | Heterocyclic compound, application thereof, and composition containing same | 20190426 |
CN-111848598-A | Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound | 20190426 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.03825660 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.03825660 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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