CAS 17584-12-2 3-Amino-5,6-dimethyl-1,2,4-triazine (HCID 87163)

Names & identifiers

Preferred name: 3-Amino-5,6-dimethyl-1,2,4-triazine
IUPAC: 5,6-dimethyl-1,2,4-triazin-3-amine
English name: 3-AMINO-5,6-DIMETHYL-1,2,4-TRIAZINE
Molecular formula: C5H8N4
Molecular weight: 124.14

Names & synonyms

3-Amino-5,6-dimethyl-1,2,4-triazine17584-12-21,2,4-Triazin-3-amine, 5,6-dimethyl-3-Amino-5,6-dimethyl-as-triazineNSC 55646as-Triazine, 3-amino-5,6-dimethyl-5,6-Dimethyl-1,2,4-triazin-3-ylamineEINECS 241-552-4Y36ASR52NUBRN 0118790AI3-60314NSC-55646

Show more names

OTAVA-BB BB7020204768LABOTEST-BB LT000807283-amino-5,6-dimethyl-as-triazin5,6-Dimethyl-3-amino-1,2,4-triazine5,6-dimethyl-1,2,4-triazine-3-amine

DTXSID10222695-26-08-00042 (Beilstein Handbook Reference)RefChem:497325DTXCID002269241-552-45,6-dimethyl-1,2,4-triazin-3-aminedimethyl-1,2,4-triazin-3-amineMFCD00006460

Database identifiers

CAS: 17584-12-2
PubChem CID: 87163
DTXSID: DTXSID1022269
ChEMBL: CHEMBL1320279
UNII: Y36ASR52NU
EC Number: 241-552-4
Nikkaji: J207.958E

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 64.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 95

Physicochemical properties

Melting point: 210 · 210-212 °C(lit.)
Boiling point: 220.93 °C · 220.93°C (rough estimate)
Density: 1.1954 · 1.1954 (rough estimate)
refractive index: 1.738 · 1.7380 (estimate)
storage temp.: 2 · 2-8°C, protect from light
pka: 4.67 · 4.67±0.63(Predicted)
form: powder
Appearance: Light yellow to brown Solid
BRN: 118790 · 118790
InChI: InChI=1S/C5H8N4/c1-3-4(2)8-9-5(6)7-3/h1-2H3,(H2,6,7,9)
InChIKey: UIKGLXJNZXSPGV-UHFFFAOYSA-N
SMILES: N1C(C)=C(C)N=C(N)N=1
CAS DataBase Reference: 17584 · 17584-12-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 36 ASR52NU · Y36ASR52NU
EPA Substance Registry System: 3 · 3-Amino-5,6-dimethyl-1,2,4-triazine (17584-12-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 a-P304+P340-P405-P501a-P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 · P280a-P304+P340-P405-P501a-P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
RTECS: 3177100 · XY3177100
HazardClass: IRRITANT
HS Code: 29336990 · 29336990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (87%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
rtecs: XY3177100
hs_code: 29336990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P280a-P304+P340-P405-P501a-P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 2 items

Uses3-Amino-5,6-dimethyl-1,2,4-triazine was used in intramolecular cyclization reaction of various 1,2-bis(amidinohydrazone)s.

General Description3-Amino-5,6-dimethyl-1,2,4-triazine reacts with silver trifluoro-methane-sulfonate to yield tris(3-amino-5,6-dimethyl-1,2,4-triazine-κN)silver(I) trifluromethane-sulfonate-3-amino-5,6-dimethyl-1,2,4-triazine. It reacts with an excess of benzoyl chloride in the presence of triethylamine in refluxing chloroform to give 3-dibenzoylamino-5,6-dimethyl-1,2,4-triazine.