Basic information
- CAS
1750-12-5- Standard SMILES
NNc1n[nH]c(=S)n1N- InChIKey
RDIMQHBOTMWMJA-UHFFFAOYSA-N- Molecular formula
- C2H6N6S
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.03746519
Overview
for detection of aldehydes as a spray reagent; structure
Names & identifiers
- Preferred name
- 4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole
- IUPAC
- 4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione
- English name
- 4-Amino-3-hydrazino-1,2,4-triazol-5-thiol
- Molecular formula
- C2H6N6S
- Molecular weight
- 146.17
Names & synonyms
Show more names
Database identifiers
- CAS
1750-12-5- PubChem CID
- 2723946
- DTXSID
DTXSID1061944- ChEMBL
CHEMBL1531579- UNII
- L49PBF7WZF
- EC Number
- 217-135-8
- Nikkaji
- J1.777I
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 228 · 228-230 °C (dec.)(lit.)
- Boiling point
- 275 · 275.0±23.0 °C(Predicted)
- Density
- 2.31 · 2.31±0.1 g/cm3(Predicted)
- storage temp.
- 0 · 0-6°C
- solubility
- Soluble in Dimethyl sulfoxide. (DMSO)
- pka
- 8.52 · 8.52±0.20(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 134867 · 134867
- Stability
- Light Sensitive
- InChI
- InChI=1S/C2H6N6S/c3-5-1-6-7-2(9)8(1)4/h3-4H2,(H,5,6)(H,7,9)
- InChIKey
- RDIMQHBOTMWMJA-UHFFFAOYSA-N
- SMILES
- N1=C(NN)N(N)C(=S)N1
- CAS DataBase Reference
- 1750 · 1750-12-5(CAS DataBase Reference)
- FDA UNII
- 49 PBF7WZF · L49PBF7WZF
- EPA Substance Registry System
- 1 · 1,2,4-Triazolidin-3-one, 4-amino-5-thioxo-, hydrazone (1750-12-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 228 · H228
- Precautionary statements
- 210 · P210-P240-P241-P280-P370+P378
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 1325 · 1325
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 4.1 · 4.1
- PackingGroup
- III
- HS Code
- 29339900 · 29339900
- Storage Class
- 4.1 A · 4.1A - Other explosive hazardous materials
- Hazard Classifications
- 1 · Flam. Sol. 1
Safety & regulation
GHS classification
GHS Classification
Danger
H228 (13.6%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1325
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 4.1
- Storage Class
- 4.1A - Other explosive hazardous materials
- packing_group
- III
- Hazard statements
- H228
- Hazard Classifications
- Flam. Sol. 1
- Precautionary statements
- P210-P240-P241-P280-P370+P378
Chemistry & industry
Uses & manufacturing
Applications
UsesA reagent for the determination of aldehydes and other reactive chemicals
Uses4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole is a reagent used in the determination of aldehydes and other reactive chemicals.was used in purpald assay for determination of bacterial polysaccharides containing substituted or unsubstituted glycol in residues such as glycerol, ribitol, arabinitol, furanosyl galactose and sialic acid. It was used as chromogen during the determination of catalase activity in small tissue samples. It was used as reagent in determination of formaldehyde. It was used for derivatization of neutral monosaccharides during HPLC.
UsesPurpald was used in purpald assay for determination of bacterial polysaccharides containing substituted or unsubstituted glycol in residues such as glycerol, ribitol, arabinitol, furanosyl galactose and sialic acid. It was used as chromogen during the determination of catalase activity in small tissue samples. It was used as reagent in determination of formaldehyde. It was used for derivatization of neutral monosaccharides during HPLC.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
No reaction records under the current filter.
Compound notes
Loading…