3-Chloro-4-fluoronitrobenzene - CAS 350-30-1

Catalog:	BB022397
Product Name:	3-Chloro-4-fluoronitrobenzene
CAS:	350-30-1
Synonyms:	2-chloro-1-fluoro-4-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-1-fluoro-4-nitrobenzene
Description:	3-Chloro-4-fluoronitrobenzene (CAS# 350-30-1) is an intermediate used in synthesis of benzoimidolones on Ameba resin and methyl 6,7,8,9-tetrahydropyrido[1,2-a]indol-10-ylacetate.
Molecular Weight:	175.54
Molecular Formula:	C6H3ClFNO2
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])Cl)F
InChI:	InChI=1S/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
InChI Key:	DPHCXXYPSYMICK-UHFFFAOYSA-N
Boiling Point:	227-232 °C
Purity:	98 %
Density:	1.3 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00007206
LogP:	2.91050

Publication Number	Title	Priority Date
CN-113429254-A	Efficient synthesis method of 2, 4-dichlorofluorobenzene based on ceramic packed tower	20210722
CN-113248354-A	Synthetic method of fluoroacetophenone	20210707
WO-2021178920-A1	Compounds for targeted degradation of brd9	20200305
WO-2021175200-A1	Ferroptosis inhibitorsâ€"diarylamine para-acetamides	20200302
WO-2021151919-A1	Pyrido[2,3-e]oxazine derivatives as agricultural chemicals	20200128

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Nitrogen Compounds

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GHS Hazard Statement:	H301 (13.04%): Toxic if swallowed [Danger Acute toxicity, oral]; H302 (86.96%): Harmful if swallowed [Warning Acute toxicity, oral]; H311 (13.04%): Toxic in contact with skin [Danger Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (84.78%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (15.22%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H373 (15.22%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement:	P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, 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:	2.6