3-Chloro-4-fluoroaniline - CAS 367-21-5

Name: 3-Chloro-4-fluoroaniline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	3-chloro-4-fluoroaniline
Description:	Gefitinib Impurity V is an organic Fluorinated building block used for the synthesis of pharmaceutical and biologically active compounds. It has antiinflammatory activity.
Molecular Weight:	145.56
Molecular Formula:	C6H5ClFN
Canonical SMILES:	C1=CC(=C(C=C1N)Cl)F
InChI:	InChI=1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
InChI Key:	YSEMCVGMNUUNRK-UHFFFAOYSA-N
Boiling Point:	230 °C
Melting Point:	42-44 °C
Flash Point:	149°C
Purity:	> 95 %
Density:	1.226 g/cm³
Appearance:	White to light brown crystals
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store under an inert atmosphere.
MDL:	MFCD00007767
LogP:	2.64250
Refractive Index:	1.54-1.542
Stability:	Stable. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides, chloroformates. May be air-sensitive.

GHS Hazard Statement:	H301 (51.16%): Toxic if swallowed [Danger Acute toxicity, oral]; H302 (48.84%): Harmful if swallowed [Warning Acute toxicity, oral]; H311 (55.81%): Toxic in contact with skin [Danger Acute toxicity, dermal]; H318 (43.02%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H331 (51.16%): Toxic if inhaled [Danger Acute toxicity, inhalation]; H373 (65.12%): 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+P354+P338, P316, P317, P319, P321, P330, P361+P364, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
EP-3825318-A1	Oxalamido-substituted tricyclic inhibitors of hepatitis b virus	20191125
EP-3822265-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
WO-2021094434-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
WO-2021093172-A1	Hbv inhibitor and use thereof	20191113
WO-2021079300-A1	Compositions for preventing or treating chronic obstructive pulmonary diseases (copd)	20191023

PMID	Publication Date	Title	Journal
27491023	20160908	Tyrosine Kinase Inhibitors. 20. Optimization of Substituted Quinazoline and Pyrido[3,4-d]pyrimidine Derivatives as Orally Active, Irreversible Inhibitors of the Epidermal Growth Factor Receptor Family	Journal of medicinal chemistry
22783130	20120301	Synthesis of New VO(II), Co(II), Ni(II) and Cu(II) Complexes with Isatin-3-Chloro-4-Floroaniline and 2-Pyridinecarboxylidene-4-Aminoantipyrine and their Antimicrobial Studies	Mycobiology
22058752	20111001	N-(3-Chloro-4-fluoro-phen-yl)-2,2-diphenyl-acetamide	Acta crystallographica. Section E, Structure reports online
21837194	20110701	N-(3-Chloro-4-fluoro-phen-yl)-2-(naphthalen-1-yl)acetamide	Acta crystallographica. Section E, Structure reports online
21754446	20110501	Benzyl N-(3-chloro-4-fluoro-phen-yl)carbamate	Acta crystallographica. Section E, Structure reports online

Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.009455
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.009455
Rotatable Bond Count:	0
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1