1,2,3-BENZOTRIAZOLE 99% For Synthesis

Name: 1,2,3-BENZOTRIAZOLE 99% For Synthesis
Brand: Chempure

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CAS Number

95-14-7

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IUPAC name	2H-benzotriazole
canonical smiles	C1=CC2=NNN=C2C=C1
inchi	InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
inchi key	QRUDEWIWKLJBPS-UHFFFAOYSA-N
molecular formula	C6H5N3
synonyms	1H-Benzotriazole Benzotriazole 95-14-7 1,2,3-BENZOTRIAZOLE 1H-Benzo[d][1,2,3]triazole
Compound Description	1,2,3-benzotriazole appears as white to light tan crystals or white powder. No odor. Benzotriazole is the simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring. It has a role as an environmental contaminant and a xenobiotic.

Computed Properties

Molecular Weight:	119.12 g/mol
XLogP3:	1
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	119.048347172 g/mol
Monoisotopic Mass:	119.048347172 g/mol
Topological Polar Surface Area:	41.6 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	92.5
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

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (98.65%) Eye Irrit. 2 (89.6%) Acute Tox. 4 (38.24%) Aquatic Chronic 2 (26%) Aquatic Chronic 3 (35.97%) Acute toxicity (Oral) - Category 4 Acute toxicity (Inhalation: Dusts and mists) - Category 4 Serious eye damage/eye irritation - Category 2 Specific target organ toxicity - Single exposure - Category 2 (respiratory system), Category 3 (narcotic effects)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P317, P330, P337+P317, P391, and P501
hazard statements	H302 (98.65%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (89.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (38.24%): Harmful if inhaled [Warning Acute toxicity, inhalation] H411 (26%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H412 (35.97%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
hazards summary	Benzotriazole is a potential skin sensitizer used in the aircraft industry as a corrosion inhibitor. An eye irritant. May cause skin sensitization.

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Documentation

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*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	2H-benzotriazole
canonical smiles	C1=CC2=NNN=C2C=C1
inchi	InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
inchi key	QRUDEWIWKLJBPS-UHFFFAOYSA-N
molecular formula	C6H5N3
synonyms	1H-Benzotriazole Benzotriazole 95-14-7 1,2,3-BENZOTRIAZOLE 1H-Benzo[d][1,2,3]triazole
Compound Description	1,2,3-benzotriazole appears as white to light tan crystals or white powder. No odor. Benzotriazole is the simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring. It has a role as an environmental contaminant and a xenobiotic.

Computed Properties

Molecular Weight:	119.12 g/mol
XLogP3:	1
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	119.048347172 g/mol
Monoisotopic Mass:	119.048347172 g/mol
Topological Polar Surface Area:	41.6 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	92.5
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

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (98.65%) Eye Irrit. 2 (89.6%) Acute Tox. 4 (38.24%) Aquatic Chronic 2 (26%) Aquatic Chronic 3 (35.97%) Acute toxicity (Oral) - Category 4 Acute toxicity (Inhalation: Dusts and mists) - Category 4 Serious eye damage/eye irritation - Category 2 Specific target organ toxicity - Single exposure - Category 2 (respiratory system), Category 3 (narcotic effects)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P317, P330, P337+P317, P391, and P501
hazard statements	H302 (98.65%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (89.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (38.24%): Harmful if inhaled [Warning Acute toxicity, inhalation] H411 (26%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H412 (35.97%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
hazards summary	Benzotriazole is a potential skin sensitizer used in the aircraft industry as a corrosion inhibitor. An eye irritant. May cause skin sensitization.

Product No: EE3175

1,2,3-BENZOTRIAZOLE 99% For Synthesis

Product No: EE3175

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: EE3175

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?