3-Bromoindazole - CAS 40598-94-5

Catalog:	BB024579
Product Name:	3-Bromoindazole
CAS:	40598-94-5
Synonyms:	3-bromo-2H-indazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-2H-indazole
Description:	3-Bromoindazole was studied in its ability to inhibit blue light-mediated seedling development. Used to study the blue light mechanism and the genetic control of cryptochromes in the growth and development of plant species.
Molecular Weight:	197.03
Molecular Formula:	C7H5BrN2
Canonical SMILES:	C1=CC2=C(NN=C2C=C1)Br
InChI:	InChI=1S/C7H5BrN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)
InChI Key:	HTKXRTUKPXEALT-UHFFFAOYSA-N
Boiling Point:	179.2 °C at760 mmHg
Purity:	97.0 %
Density:	1.77 g/cm³
MDL:	MFCD00159926
LogP:	2.32540

Publication Number	Title	Priority Date
CN-111995577-A	Synthetic method of 4-fluoro indazole 3-carbonitrile or derivatives thereof	20200909
CN-111269217-A	Pyrimidinamine compound, preparation method and application thereof	20200407
CN-111269217-B	Pyrimidinamine compound, preparation method and application thereof	20200407
WO-2021127333-A1	Trpml modulators	20191219
WO-2021070416-A1	Thermosetting resin composition, cured product thereof, and structural body including said cured product	20191009

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Related Functional Groups

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GHS Hazard Statement:	H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.96361
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6