3-Fluoro-4-nitrotoluene - CAS 446-34-4
Catalog: |
BB025678 |
Product Name: |
3-Fluoro-4-nitrotoluene |
CAS: |
446-34-4 |
Synonyms: |
2-fluoro-4-methyl-1-nitrobenzene |
IUPAC Name: | 2-fluoro-4-methyl-1-nitrobenzene |
Description: | 3-Fluoro-4-nitrotoluene (CAS# 446-34-4) is a useful research chemical. |
Molecular Weight: | 155.13 |
Molecular Formula: | C7H6FNO2 |
Canonical SMILES: | CC1=CC(=C(C=C1)[N+](=O)[O-])F |
InChI: | InChI=1S/C7H6FNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3 |
InChI Key: | WZMOWQCNPFDWPA-UHFFFAOYSA-N |
Boiling Point: | 97-98 °C (3 mmHg) |
Melting Point: | 52-55 °C |
Purity: | 98 % |
Density: | 1.438 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Keep away from heat and flame. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00007053 |
LogP: | 2.56550 |
GHS Hazard Statement: | H302 (97.92%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (95.83%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (97.92%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261-P280-P305+P351+P338 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112438272-A | Evodiamine analog and application thereof in preventing and treating plant pathogenic fungi | 20201203 |
US-2021114989-A1 | Piperazine substituted azapine derivatives and uses thereof | 20191021 |
WO-2021080997-A1 | 3-(4-(11h-dibenzo[b,e][1,4]azepin-6-yl)piperazin-1-yl)- and 3-(4-(dibenzo[b,f][1,4]oxazepin/thiazepin/diazepin-11-yl)piperazin-1-yl)-propano ic acid derivatives as h1 and 5-ht2a-receptor modulators for the treatment of sleep disorders | 20191021 |
US-11046651-B2 | Piperazine substituted azapine derivatives and uses thereof | 20191021 |
WO-2021074108-A1 | Process of preparing 1,1'-disulfandiylbis(4-fluoro-2-methyl-5-nitrobenzol) | 20191016 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.0382566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.0382566 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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