霍比特

Description

1-Hydroxybenzotriazole · CAS 2592-95-2 · C6.H5.N3.O. UNII A2T929DMG4.

Identification

CAS Registry Number	2592-95-2
PubChem CID	75771
Molecular formula	C6.H5.N3.O
IUPAC name	1-hydroxybenzotriazole
UNII (FDA)	A2T929DMG4

Computed Descriptors

Molecular Weight	135.12
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	135.043261791
Monoisotopic Mass	135.043261791
Topological Polar Surface Area	50.9
Heavy Atom Count	10
Formal Charge	0

Physical description & handling notes

• White solid; [Merck Index] Light yellow fine crystals with lumps; [Sigma-Aldrich MSDS]
• 8.4 [ug/mL] (The mean of the results at pH 7.4)
• 124.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3044627]
• 122.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3044627]
• 125.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3044627]

GHS Hazard Classification

Reported hazard statements	H203, H319 (11.5%), H412 (10.9%)

Documented Uses

• Used as a reagent in synthetic organic chemistry; [Merck Index]
• Corrosion inhibitors -> Transformation products
• 1H-Benzotriazole, 1-hydroxy-: ACTIVE

Synonyms

1-Hydroxybenzotriazole; 2592-95-2; HOBt; Benzazimidol; 1H-Benzotriazole, 1-hydroxy-; DTXSID3044627; A2T929DMG4; DTXCID1024627; RefChem:76020; 219-989-7; 1H-Benzo[d][1,2,3]triazol-1-ol; 1H-1,2,3-Benzotriazol-1-ol; 1H-Benzotriazol-1-ol; N-Hydroxybenzotriazole; 1-Hydroxy-1H-benzotriazole; 1-Benzotriazolol

Frequently Asked Questions

What are the CAS number and molecular formula of 1-Hydroxybenzotriazole?

CAS 2592-95-2; molecular formula C6.H5.N3.O; molecular weight — g/mol.

What other names is 1-Hydroxybenzotriazole known by?

1-Hydroxybenzotriazole, 2592-95-2, HOBt, Benzazimidol, 1H-Benzotriazole, 1-hydroxy-, DTXSID3044627.

Is 1-Hydroxybenzotriazole classified as hazardous?

Hazard statements reported: H203, H319, H412.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.