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Product No: AA8856

6-Bromo-1H-indazole, 98%

Name: 6-Bromo-1H-indazole
Brand: Chempure

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CAS Number

79762-54-2

Molecular Weight

197.03

Formula

C7H5BrN2

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About this item

IUPAC name	6-bromo-1H-indazole
canonical smiles	C1=CC2=C(C=C1Br)NN=C2
inchi	InChI=1S/C7H5BrN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
inchi key	WMKDUJVLNZANRN-UHFFFAOYSA-N
molecular formula	C7H5BrN2
synonyms	6-bromo-1H-indazole 79762-54-2 6-Bromoindazole 6-Bromo-2H-indazole 1H-Indazole, 6-bromo-

Computed Properties

Molecular Weight:	197.03 g/mol
XLogP3:	2.9
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	195.96361 g/mol
Monoisotopic Mass:	195.96361 g/mol
Topological Polar Surface Area:	28.7 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	129
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Chlorzoxazone

1H-Indazol-6-amine

2-Isopropylnaphthalene

5-Methylbenzimidazole

2-Bromonaphthalene

Indazole

1H-Indazol-7-amine

5-Chloro-1H-benzimidazole

1-Ethyl-4-methoxybenzene

5,6-Dichlorobenzoxazol-2(3H)-one

Phthalan

5-Chloro-1H-indazole

5-bromo-1H-indazole

6-Bromo-4H-imidazo[4,5-b]pyridine

6-Chlorooxindole

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (87.5%) Skin Irrit. 2 (14.58%) Eye Dam. 1 (85.42%) Eye Irrit. 2 (14.58%) STOT SE 3 (14.58%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (14.58%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (85.42%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (14.58%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (14.58%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	6-bromo-1H-indazole
canonical smiles	C1=CC2=C(C=C1Br)NN=C2
inchi	InChI=1S/C7H5BrN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
inchi key	WMKDUJVLNZANRN-UHFFFAOYSA-N
molecular formula	C7H5BrN2
synonyms	6-bromo-1H-indazole 79762-54-2 6-Bromoindazole 6-Bromo-2H-indazole 1H-Indazole, 6-bromo-

Computed Properties

Molecular Weight:	197.03 g/mol
XLogP3:	2.9
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	195.96361 g/mol
Monoisotopic Mass:	195.96361 g/mol
Topological Polar Surface Area:	28.7 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	129
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Chlorzoxazone

1H-Indazol-6-amine

2-Isopropylnaphthalene

5-Methylbenzimidazole

2-Bromonaphthalene

Indazole

1H-Indazol-7-amine

5-Chloro-1H-benzimidazole

1-Ethyl-4-methoxybenzene

5,6-Dichlorobenzoxazol-2(3H)-one

Phthalan

5-Chloro-1H-indazole

5-bromo-1H-indazole

6-Bromo-4H-imidazo[4,5-b]pyridine

6-Chlorooxindole

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (87.5%) Skin Irrit. 2 (14.58%) Eye Dam. 1 (85.42%) Eye Irrit. 2 (14.58%) STOT SE 3 (14.58%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (14.58%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (85.42%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (14.58%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (14.58%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AA8856

6-Bromo-1H-indazole, 98%

Product No: AA8856

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA8856

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?