CAS 1120-99-6 3-Amino-1,2,4-triazine (HCID 70715)

Names & identifiers

Preferred name: 3-Amino-1,2,4-triazine
IUPAC: 1,2,4-triazin-3-amine
English name: 3-Amino-1,2,4-triazine
Molecular formula: C3H4N4
Molecular weight: 96.09

Names & synonyms

1,2,4-Triazin-3-amine3-Amino-1,2,4-triazine1120-99-6DTXSID90149816RefChem:4966613-ATINEDTXCID5072307214-324-7as-Triazine, 3-amino-3-Amino-as-triazine[1,2,4]triazin-3-ylamineMFCD00006459

Show more names

1,2,4-Triazine-3-amine3-amino-as-triazinTIMTEC-BB SBB004379Amino-1,2,4-triazine3-amine-1,2,4-Triazin

1,2,4-Triazin-3-ylamine1,2,4-triazine-3-ylamine1,2,4-Triazine, 3-amino-EINECS 214-324-7AI3-61002184433-61-23-Amino-1,2,4-triazine; 3-Amino-as-triazine; NSC 203233; [1,2,4]Triazin-3-ylamine3-amino -1,2,4-triazine

Database identifiers

CAS: 1120-99-6
PubChem CID: 70715
DTXSID: DTXSID90149816
EC Number: 214-324-7
Nikkaji: J90.931I

Properties

Computed structural properties

XLogP: -1.2
Topological polar surface area: 64.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 54

Physicochemical properties

Melting point: 174 · 174-177 °C(lit.)
Boiling point: 169.59 °C · 169.59°C (rough estimate)
Density: 1.217 · 1.2170 (rough estimate)
refractive index: 1.738 · 1.7380 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: DMSO (Sonicated), Methanol (Slightly, Sonicated)
pka: 3.67 · 3.67±0.63(Predicted)
form: Crystalline Powder
color: Brown
InChI: InChI=1S/C3H4N4/c4-3-5-1-2-6-7-3/h1-2H,(H2,4,5,7)
InChIKey: MJIWQHRXSLOUJN-UHFFFAOYSA-N
SMILES: N1C=CN=C(N)N=1
CAS DataBase Reference: 1120 · 1120-99-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-24/25
WGK Germany: 3 · 3
RTECS: 2969000 · XY2969000
HS Code: 29336990 · 29336990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.