2,6-Dibromo-4-fluoroaniline - CAS 344-18-3

Catalog:	BB022129
Product Name:	2,6-Dibromo-4-fluoroaniline
CAS:	344-18-3
Synonyms:	Benzenamine, 2,6-dibromo-4-fluoro-; 2,6-Dibromo-4-fluorobenzenamine; Aniline, 2,6-dibromo-4-fluoro-; 2,6-Dibromo-4-fluoro-phenylamine; NSC 51868

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,6-dibromo-4-fluoroaniline
Molecular Weight:	268.91
Molecular Formula:	C6H4Br2FN
Canonical SMILES:	C1=C(C=C(C(=C1Br)N)Br)F
InChI:	InChI=1S/C6H4Br2FN/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,10H2
InChI Key:	VHPLZFGCNLDYQH-UHFFFAOYSA-N
Boiling Point:	265.2±35.0°C at 760 mmHg
Melting Point:	63-64°C
Purity:	≥95%
Density:	2.096±0.06 g/cm3
Appearance:	White to Amber to Dark Purple Powder to Crystal
Storage:	Store at RT under inert atmosphere
MDL:	MFCD00041445
LogP:	3.51410

Publication Number	Title	Priority Date
WO-2021133689-A2	Lipoxygenase inhibitors	20191223
WO-2020249669-A1	Sulfonamide derivatives and uses thereof	20190612
WO-2020154499-A1	Sulfonimidamide compounds and compositions for treating conditions associated with nlrp activity	20190123
CN-113329998-A	Sulfonimidyl amide compounds and compositions for treating conditions associated with NLRP activity	20190123
WO-2020154321-A1	Compounds and compositions for treating conditions associated with nlrp activity	20190122

PMID	Publication Date	Title	Journal
22220097	20111101	4-(2,6-Dibromo-4-fluoro-anilino)pent-3-en-2-one	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

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[1632145-37-9]
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[81290-20-2]
Trimethyl(trifluoromethyl)silane

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]
2,4-Difluorotoluene
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[451-46-7]
Ethyl 4-fluorobenzoate
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	268.86740
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	266.86945
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7