2-Amino-3,5-dibromobenzonitrile - CAS 68385-95-5

Catalog:	BB033544
Product Name:	2-Amino-3,5-dibromobenzonitrile
CAS:	68385-95-5
Synonyms:	2-amino-3,5-dibromobenzonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-amino-3,5-dibromobenzonitrile
Description:	2-Amino-3,5-dibromobenzonitrile (CAS# 68385-95-5) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	275.93
Molecular Formula:	C7H4Br2N2
Canonical SMILES:	C1=C(C=C(C(=C1Br)N)C#N)Br
InChI:	InChI=1S/C7H4Br2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2
InChI Key:	WLZCMGXAEXFAQA-UHFFFAOYSA-N
Boiling Point:	301.2 ℃ at 760 mmHg
Density:	2.12 g/cm³
MDL:	MFCD00179571
LogP:	3.24668

Publication Number	Title	Priority Date
CN-112403446-A	Conjugated microporous polymer and preparation method and application thereof	20201028
WO-2021083936-A1	Pesticidally active fused bicyclic heteroaromatic compounds	20191101
WO-2021028382-A1	[1,2,4]triazolo[1,5-c]quinazolin-5-amines	20190812
JP-2021024832-A	Diphenylurea compound derivative	20190807
CN-110283328-A	A kind of zirconium metal-organic framework material and preparation method thereof as crystal sponge	20190528

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]; H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.87207
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	273.87412
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9