3-Bromo-1,2-diamino-5-fluorobenzene - CAS 115440-10-3

Name: 3-Bromo-1,2-diamino-5-fluorobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003564
Product Name:	3-Bromo-1,2-diamino-5-fluorobenzene
CAS:	115440-10-3
Synonyms:	3-bromo-5-fluorobenzene-1,2-diamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-5-fluorobenzene-1,2-diamine
Description:	3-Bromo-1,2-diamino-5-fluorobenzene (CAS# 115440-10-3) is a useful research chemical.
Molecular Weight:	205.03
Molecular Formula:	C6H6BrFN2
Canonical SMILES:	C1=C(C=C(C(=C1Br)N)N)F
InChI:	InChI=1S/C6H6BrFN2/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,9-10H2
InChI Key:	VCINLTLIJKUOQC-UHFFFAOYSA-N
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD08741398
LogP:	2.91500

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[1795420-51-7]C6H6F3N3O2
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[2091593-59-6]C9H10F3NO
3-methoxy-6-methyl-2-(trifluoromethyl)aniline

Nitrogen Compounds

[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile

Other Pyrimidines

[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021026375-A1	Fused bicyclic compounds for the treatment of pain	20190807
US-2021040087-A1	Somatostatin modulators and uses thereof	20180212
WO-2019143675-A1	Dna-pk inhibitors	20180117
BR-112020014140-A2	dna-pk inhibitors	20180117
CN-111741955-A	DNA-PK inhibitors	20180117

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.96984
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	203.96984
Rotatable Bond Count:	0
Topological Polar Surface Area:	52
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4