1-Trimethylsilyl-1,2,4-triazole

HCID 87558

Notes Reactions

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Basic information

CAS: 18293-54-4
Standard SMILES: C[Si](C)(C)n1cncn1
InChIKey: WPSPBNRWECRRPK-UHFFFAOYSA-N
Molecular formula: C5H11N3Si
Average molar mass: 141.25 g/mol
Monoisotopic mass: 141.07222388

Names & identifiers

Preferred name: 1-Trimethylsilyl-1,2,4-triazole
IUPAC: trimethyl(1,2,4-triazol-1-yl)silane
English name: 1-Trimethylsilyl-1,2,4-triazole
Molecular formula: C5H11N3Si
Molecular weight: 141.25

Names & synonyms

1-Trimethylsilyl-1,2,4-triazole18293-54-41-(Trimethylsilyl)-1H-1,2,4-triazole1H-1,2,4-Triazole, 1-(trimethylsilyl)-EINECS 242-170-0XAB26MQ68GDTXSID20663551-TRIMETHYLSILYL-1H-1,2,4-TRIAZOLERefChem:436874DTXCID5035820242-170-0trimethyl(1,2,4-triazol-1-yl)silane

Show more names

DK170Trimethylsilyl-1,2,4-TriazoleTrimethylsilyl-1,2,3-triazolerimethyl(1,2,4-triazol-1-yl)silane4-triazole,1-(trimethylsilyl)-1h-22,4-Triazole,1-(trimethylsilyl)-1H-1

N-Trimethylsilyl-1,2,4-triazoleMFCD000460701H-1,2,4-Triazole, TMS derivative1-(trimethylsilyl)-1,2,4-triazoleUNII-XAB26MQ68GSCHEMBL545575SCHEMBL16100410SCHEMBL16101724

Database identifiers

CAS: 18293-54-4
PubChem CID: 87558
DTXSID: DTXSID2066355
UNII: XAB26MQ68G
EC Number: 242-170-0
Nikkaji: J266.102K

Properties

Computed structural properties

Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 98.9

Experimental & physicochemical properties

SpringerMaterials Properties29Si nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point: 74 °C12 · 74 °C12 mm Hg(lit.)
Density: 0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.461(lit.)
Flash point: 8 °C · 8°C
storage temp.: 2 · 2-8°C
Specific Gravity: 0.989 · 0.989
Appearance: Colorless to light yellow Liquid
Hydrolytic Sensitivity: 7 · 7: reacts slowly with moisture/water
Sensitive: Moisture Sensitive
CAS DataBase Reference: 18293 · 18293-54-4(CAS DataBase Reference)
FDA UNII: 26 MQ68G · XAB26MQ68G
EPA Substance Registry System: 1 H-1,2,4-Triazole, · 1H-1,2,4-Triazole, 1-(trimethylsilyl)- (18293-54-4)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H315-H319-H335
Precautionary statements: 210 · P210-P261-P305+P351+P338-P303+P361+P353-P405-P501a
Hazard Codes: F,Xi
Risk Statements: 11 · 11-36/37/38
Safety Statements: 16 · 16-26
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
F: 10 · 10-21
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 105 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

F: 10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,Xi
safety_code: 16-26
hazard_class: 3
packing_group: II
Hazard statements: H225-H315-H319-H335
Precautionary statements: P210-P261-P305+P351+P338-P303+P361+P353-P405-P501a