3-Fluoro-4-nitrotoluene - CAS 446-34-4

Name: 3-Fluoro-4-nitrotoluene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

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