5-Chloro-2-fluoronitrobenzene - CAS 345-18-6

Catalog:	BB022162
Product Name:	5-Chloro-2-fluoronitrobenzene
CAS:	345-18-6
Synonyms:	4-chloro-1-fluoro-2-nitrobenzene; 4-chloro-1-fluoro-2-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-1-fluoro-2-nitrobenzene
Description:	5-Chloro-2-fluoronitrobenzene (CAS# 345-18-6) is a useful research chemical.
Molecular Weight:	175.54
Molecular Formula:	C6H3ClFNO2
Canonical SMILES:	C1=CC(=C(C=C1Cl)[N+](=O)[O-])F
InChI:	InChI=1S/C6H3ClFNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChI Key:	DIAWBHLTWNWYGR-UHFFFAOYSA-N
Boiling Point:	236 °C
Density:	1.494 g/cm³
MDL:	MFCD00069418
LogP:	2.91050

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline

GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (33.33%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (66.67%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501
Signal Word:	Danger

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.9836342
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.9836342
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4