2-Bromo-6-nitroaniline - CAS 59255-95-7

Name: 2-Bromo-6-nitroaniline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030315
Product Name:	2-Bromo-6-nitroaniline
CAS:	59255-95-7
Synonyms:	2-bromo-6-nitroaniline; 2-bromo-6-nitroaniline

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Computed Properties

IUPAC Name:	2-bromo-6-nitroaniline
Description:	2-Bromo-6-nitroaniline (CAS# 59255-95-7) is an intermediate used for the synthesis of metabolite of Brimonidine (B677520), which is an α2 receptor agonist. It is a drug used to treat glaucoma.
Molecular Weight:	217.02
Molecular Formula:	C6H5BrN2O2
Canonical SMILES:	C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-]
InChI:	InChI=1S/C6H5BrN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2
InChI Key:	KKMOSYLWYLMHAL-UHFFFAOYSA-N
Boiling Point:	309.806 °C at 760 mmHg
Density:	1.812 g/cm³
MDL:	MFCD09263476
LogP:	3.04390

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Related Functional Groups

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[1158353-54-8]C10H13N3O4S
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[1250876-38-0]C8H14N4
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[1082066-00-9]C7H8N2O
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[17583-40-3]C8H8N2
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[6397-33-7]C9H13NS
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GHS Hazard Statement:	H302 (50%): 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

Publication Number	Title	Priority Date
WO-2021055591-A1	Substituted benzimidazole carboxamides and their use in the treatment of medical disorders	20190917
WO-2020150545-A1	Pyrazole derivatives as modulators of the wnt/b-catenin signaling pathway	20190117
WO-2019023468-A1	TYK2 INHIBITORS AND USES THEREOF	20170728
WO-2018130227-A1	Aromatic ring-containing compound, preparation method therefor, pharmaceutical composition, and use	20170116
WO-2017076194-A1	Compounds with inhibitory activity against hcv, preparation method and use thereof	20151106

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.95344
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	215.95344
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6