1-Bromo-4-chloro-2-fluorobenzene - CAS 1996-29-8

Catalog:	BB015413
Product Name:	1-Bromo-4-chloro-2-fluorobenzene
CAS:	1996-29-8
Synonyms:	1-bromo-4-chloro-2-fluorobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-4-chloro-2-fluorobenzene
Description:	A 2,4-dihalofluorobenzene derivative with antibacterial and antifungal activities.
Molecular Weight:	209.44
Molecular Formula:	C6H3BrClF
Canonical SMILES:	C1=CC(=C(C=C1Cl)F)Br
InChI:	InChI=1S/C6H3BrClF/c7-5-2-1-4(8)3-6(5)9/h1-3H
InChI Key:	FPNVMCMDWZNTEU-UHFFFAOYSA-N
Boiling Point:	91-92 °C (20 mmHg)
Purity:	98 %
Density:	1.678 g/cm³
Appearance:	Clear colorless to pale yellow liquid
MDL:	MFCD00079708
LogP:	3.24160

Publication Number	Title	Priority Date
CN-113121584-A	Heterocyclic compound and organic electroluminescent device comprising same	20210330
KR-102260561-B1	Composition For Capping Layer of Organic Light Emitting Diode and Organic Light Emitting Diode Having The Same	20210114
KR-20210117672-A	Composition for optoelectronic device and organic optoelectronic device and display device	20200320
KR-20210114352-A	New amine organic compound and an organic light emitting diode including the same with High efficiency	20200310
US-2021284619-A1	Novel amine compound and high-efficiency organic light-emitting diode including same	20200310

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Related Functional Groups

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[1820736-42-2]
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[4860-03-1]
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Other Pyrimidines

[452-76-6]
2,4-Difluorotoluene
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[246847-98-3]
2-Amino-5-chloro-3-fluoropyridine
[505054-58-0]
8-(Trifluoromethyl)-6,7-Dihydro-5H-Cyclopenta[D]Pyrazolo[1,5-A]Pyrimidine-2-Carboxylic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.90907
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.90907
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3