2,4,6-Trifluoropyrimidine (HCID 69677)

Names & identifiers

Preferred name: 2,4,6-Trifluoropyrimidine
IUPAC: 2,4,6-trifluoropyrimidine
English name: 2,4,6-TRIFLUOROPYRIMIDINE
Molecular formula: C4HF3N2
Molecular weight: 134.06

Names & synonyms

2,4,6-Trifluoropyrimidine696-82-2Pyrimidine, 2,4,6-trifluoro-EINECS 211-801-1DTXSID40219876RefChem:82123DTXCID90142367211-801-1NTSYSQNAPGMSIH-UHFFFAOYSA-NMFCD000397052,4, 6-trifluoropyrimidineSCHEMBL113096

Show more names

2,4,6-TRIFLUOROPYRIMIDEPyriMidine,2,4,6-trifluoro-2,4,6-Trifluoropyrimidine,98%2,4,6-Trifluoropyrimidine 98%2-(2-chloroethyl)benzo[f]isoindole-1,3-dione2,4,6-TRIFLUOROPYRIMIDINE ISO 9001：2015 REACHPyrimidine, 2,4,6-trifluoro- (6CI,7CI,8CI,9CI)

AKOS005259689CS-W011072SB57442AC-26652DS-10783AMY128A9216SCHEMBL5143890

Database identifiers

CAS: 696-82-2
PubChem CID: 69677
DTXSID: DTXSID40219876
EC Number: 211-801-1
Nikkaji: J206.017E

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 89

Physicochemical properties

Boiling point: 83 °C · 83 °C
Density: 1.514 · 1.514±0.06 g/cm3(Predicted)
refractive index: 1.405 · 1.405
Flash point: 100 °C · >100°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -7.88 · -7.88±0.30(Predicted)
Appearance: Colorless to light yellow Liquid
Sensitive: Moisture Sensitive
BRN: 607190 · 607190
CAS DataBase Reference: 696 · 696-82-2(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: C,Xi
Risk Statements: 34 · 34-37
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · 3265
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: II
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (14.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 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.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)；STOT SE 3 (42.9%)

Safety data

ridadr: 3265
hs_code: 2933599590
risk_code: 34-37
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard statements: H314-H318
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a