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6-bromo-1-methyl-1H-1,2,3-benzotriazole

6-bromo-1-methyl-1H-1,2,3-benzotriazole - CAS 1083181-43-4

Catalog:	BB002248
Product Name:	6-bromo-1-methyl-1H-1,2,3-benzotriazole
CAS:	1083181-43-4
Synonyms:	6-bromo-1-methylbenzotriazole; 6-bromo-1-methylbenzotriazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-bromo-1-methylbenzotriazole
Description:	6-bromo-1-methyl-1H-1,2,3-benzotriazole (CAS# 1083181-43-4) is a useful research chemical.
Molecular Weight:	212.05
Molecular Formula:	C7H6BrN3
Canonical SMILES:	CN1C2=C(C=CC(=C2)Br)N=N1
InChI:	InChI=1S/C7H6BrN3/c1-11-7-4-5(8)2-3-6(7)9-10-11/h2-4H,1H3
InChI Key:	GPKHIVIGTSWNRM-UHFFFAOYSA-N
LogP:	1.73080

Publication Number	Title	Priority Date
WO-2021009335-A1	Substituted pyridazinones as herbicides	20190718
WO-2021002986-A2	Bax inhibitors and uses thereof	20190531
CN-113166097-A	4-heteroarylcarbonyl-N- (phenyl or heteroaryl) piperidine-1-carboxamides as tankyrase inhibitors	20181203
US-2021078975-A1	Fused cyclic urea derivatives as crhr2 antagonist	20180409
TW-201946629-A	MAT2A heterobicyclic inhibitor and method for treating cancer	20180330

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning 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+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.97451
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.97451
Rotatable Bond Count:	0
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8