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2,4,5,6-Tetrafluoropyrimidine

HCID 136605
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
767-79-3
Standard SMILES
Fc1nc(F)c(F)c(F)n1
InChIKey
KZMWBUVUQLGBBP-UHFFFAOYSA-N
Molecular formula
C4F4N2
Average molar mass
152.05 g/mol
Monoisotopic mass
151.99976066

Names & identifiers

Preferred name
2,4,5,6-Tetrafluoropyrimidine
IUPAC
2,4,5,6-tetrafluoropyrimidine
English name
2,4,5,6-Tetrafluoropyrimidine
Molecular formula
C4F4N2
Molecular weight
152.05

Names & synonyms

2,4,5,6-tetrafluoropyrimidine767-79-3tetrafluoropyrimidinePyrimidine, tetrafluoro-MFCD10687402Pyrimidine,tetrafluoro-SCHEMBL5675318DTXSID902275022,4,5,6-Tetrafluoro-pyrimidineKZMWBUVUQLGBBP-UHFFFAOYSA-NSBB086816AKOS005255212
Show more names
Pyrimidine, 2,4,5,6-tetrafluoro-2,4,5,6-Tetrafluoropyrimidine,95%2,4,5,6-Tetrafluoropyrimidine ISO 9001:2015 REACH2,4,5,6-Tetrafluoropyrimidine, 2,4,5,6-Tetrafluoro-1,3-diazine
MS-20091DB-075185

Database identifiers

CAS
767-79-3
PubChem CID
136605
DTXSID
DTXSID90227502
EC Number
679-197-6
Nikkaji
J607.943A

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
110

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point
83 ℃ · 83℃
form
liquid
color
clear
Symbol(GHS)
5 · GHS05,GHS07
Signal word
Danger
Hazard statements
302 · H302-H314
Precautionary statements
271 · P271-P260-P280
Hazard Codes
C,Xi
HazardClass
IRRITANT
HS Code
2933599590 · 2933599590

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.

Safety data

hs_code
2933599590
Signal word
Danger
Symbol(GHS)
GHS05,GHS07
hazard_code
C,Xi
hazard_class
8
Hazard statements
H302-H314
Precautionary statements
P271-P260-P280

Chemistry & industry

Upstream & downstream products

Downstream products

Pyrimidine, 4-chloro-2,5,6-trifluoro-

Suppliers11 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

2 records
New reaction record
HRID 1551687 reaction equation
HRID 1551687As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1885703 reaction equation
HRID 1885703As productuspto-grants-1992_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes