3,5-Diamino-1,2,4-triazole

HCID 15078

Basic information

CAS
1455-77-2
Standard SMILES
Nc1n[nH]c(N)n1
InChIKey
PKWIYNIDEDLDCJ-UHFFFAOYSA-N
Molecular formula
C2H5N5
Average molar mass
99.1 g/mol
Monoisotopic mass
99.05449516

Overview

Guanazole appears as colorless crystals. (NTP, 1992)

Names & identifiers

Preferred name
3,5-Diamino-1,2,4-triazole
IUPAC
1H-1,2,4-triazole-3,5-diamine
English name
1H-1,2,4-Triazole-3,5-diamine
Molecular formula
C2H5N5
Molecular weight
99.09

Names & synonyms

Guanazole1H-1,2,4-Triazole-3,5-diamine1455-77-23,5-DIAMINO-1,2,4-TRIAZOLE3,5-Diamino-s-triazole3,5-Diamino-1H-1,2,4-triazoles-Triazole, 3,5-diamino-NCI-C04819NSC 1895MC 51762NSC-1895DTXSID0025367
Show more names
4H-1,2,4-TRIAZOLE-3,5-DIAMINETIMTEC-BB SBB004371Guanazole (VAN) (8CI)3,5-diamino-s-triazol
NSC1895DTXCID705367I01TWM5267CHEBI:75425NSC-166592NSC-167391NSC-167392NSC166592

Database identifiers

CAS
1455-77-2
PubChem CID
15078
DTXSID
DTXSID0025367
ChEMBL
CHEMBL56973
ChEBI
CHEBI:75425
UNII
I01TWM5267
EC Number
215-937-2
Nikkaji
J13.125C

Properties

Computed structural properties

XLogP
-0.7
Topological polar surface area
93.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
7

Experimental & physicochemical properties

SolubilitySoluble (NTP, 1992)
Melting Point399 to 403 °F (Decomposes) (NTP, 1992)
Physical DescriptionGuanazole appears as colorless crystals. (NTP, 1992)

Physicochemical properties

Melting point
202 · 202-205 °C (lit.)
Boiling point
473.7 · 473.7±28.0 °C(Predicted)
Density
1.686 · 1.686±0.06 g/cm3(Predicted)
refractive index
1.733 · 1.7330 (estimate)
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C
solubility
2 O: · H2O: clear to hazy

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 31% (53 of 171) of reports.

Warning

H302+H312+H332 (16.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 171 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 12-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/24231

1H-1,2,4-Triazole-3,5-diamine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: This chemical is stable under normal laboratory conditions. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsExplosive
Reactivity Profile · 1 item

The triazoles, of which GUANAZOLE is a member, are a group of highly explosive materials that are sensitive to heat, friction, and impact. Sensitivity varies with the type of substitution to the triazole ring. The amine substituted derivatives, guanazole, tend not to be explosion sensitive. Metal chelated and halogen substitution of the triazol ring make for a particularly heat sensitive material. Azido and nitro derivatives have been employed as high explosives. No matter the derivative these materials should be treated as explosives. GUANAZOLE forms salts readily with acids. (NTP, 1992)

Safety & protection

Fire FightingFires involving this material should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
XZ4535000
hs_code
29339990
risk_code
22-34

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.

Uses & manufacturing

General Manufacturing Information1H-1,2,4-Triazole-3,5-diamine: ACTIVE

Applications

Uses3,5-Diamino-1,2,4-triazole is used as an inhibitor of DNA synthesis. It also serves as an antitumor agents in the treatment of epigenetically-based diseases. It acts as a corrosion inhibitor for copper.

General DescriptionColorless crystals.

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Additional notes

DefinitionChEBI: An aromatic amine that is 1,2,4-triazole substituted at positions 3 and 5 by amino groups.

Related reactions

23 records

Compound notes

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