CAS 2829-58-5 4-Amino-1,2,5-thiadiazole-3-carboxylic acid (HCID 251763)

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Basic information

CAS: 2829-58-5
Standard SMILES: Nc1nsnc1C(=O)O
InChIKey: OJMKAQZLZNNVTG-UHFFFAOYSA-N
Molecular formula: C3H3N3O2S
Average molar mass: 145.14 g/mol
Monoisotopic mass: 144.99459734

Names & identifiers

Preferred name: 4-Amino-1,2,5-thiadiazole-3-carboxylic acid
IUPAC: 4-amino-1,2,5-thiadiazole-3-carboxylic acid
English name: 4-AMINO-[1,2,5]THIADIAZOLE-3-CARBOXYLIC ACID
Molecular formula: C3H3N3O2S
Molecular weight: 145.14

Names & synonyms

4-amino-1,2,5-thiadiazole-3-carboxylic acidDTXSID80291030RefChem:517390DTXCID10242176636-695-82829-58-54-Amino-[1,2,5]thiadiazole-3-carboxylic acidMFCD007188304-amino-1,2,5-thiadiazole-3-carboxylicacid1,2,5-Thiadiazole-3-carboxylic acid, 4-amino-NSC72521Oprea1_129864

Show more names

NSC 725214-Amino-[1,2,5]thiadiazole-3-carboxylic acid, 97+%

Oprea1_2056681,2,5-Thiadiazole, TDA2SCHEMBL2518142BDBM23252OJMKAQZLZNNVTG-UHFFFAOYSA-NNSC-72521SBB086401AKOS000678598

Database identifiers

CAS: 2829-58-5
PubChem CID: 251763
DTXSID: DTXSID80291030
EC Number: 636-695-8

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 117 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 130

Physicochemical properties

Melting point: 220 · 220-222℃
Density: 1.81 · 1.810
storage temp.: 2 · 2-8°C(protect from light)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37
RIDADR: 3086 · UN3086
HazardClass: TOXIC, OXIDIZER
HS Code: 29349990 · 29349990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

ridadr: UN3086
hs_code: 29349990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37
hazard_class: TOXIC, OXIDIZER
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313