2,4-Dichloro-5-fluoropyrimidine

HCID 250705CAS 2927-71-1

Basic information

Standard SMILES
Fc1cnc(Cl)nc1Cl
InChIKey
WHPFEQUEHBULBW-UHFFFAOYSA-N
Molecular formula
C4HCl2FN2
Average molar mass
166.97 g/mol
Monoisotopic mass
165.95008161

Names & identifiers

Preferred name
2,4-Dichloro-5-fluoropyrimidine
IUPAC
2,4-dichloro-5-fluoropyrimidine
English name
2,4-Dichloro-5-fluoropyrimidine
Molecular formula
C4HCl2FN2
Molecular weight
166.97

Names & synonyms

2,4-Dichloro-5-fluoropyrimidine2927-71-1DTXSID00290702RefChem:82334DTXCID30241848625-810-7WHPFEQUEHBULBW-UHFFFAOYSA-N5-fluoro-2,4-dichloropyrimidinePYRIMIDINE, 2,4-DICHLORO-5-FLUORO-2,4-dichloro-5-fluoro-pyrimidineMFCD00233551C4HCl2FN2
Show more names
oro-5-fLNSC 70442uoropyrimidineCHEMPACIFIC 37950Fluorouracil Impurity 92,6-DICHLORO-5-FLUORORACIL2,4-Dichloro-5-fluorouracil4-Dichloro-5-fluoropyriMidine
2,4-dichloro-5-fluoro pyrimidineNSC-704422,6-DICHLORO-5-FLUOROPYRIMIDINENSC70442BLQ52TC9PWNCIOpen2_000539SCHEMBL1906572,4-dichloro-5fluoropyrimidine

Database identifiers

CAS
2927-71-1
PubChem CID
250705
DTXSID
DTXSID00290702
UNII
BLQ52TC9PW
EC Number
625-810-7
Nikkaji
J526.210K

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
37 · 37-41 °C (lit.)
Boiling point
80 °C · 80 °C / 16mmHg
Density
1.605 · 1.605±0.06 g/cm3(Predicted)
Flash point
223 °F · 223 °F
storage temp.
2 · Inert atmosphere,2-8°C
solubility
soluble in Chloroform, Methanol

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (85.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 01-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18434
Hazard Classes and CategoriesAcute Tox. 4 (85.5%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
ridadr
3261
hs_code
29335990
risk_code
36/37/38-34-22
Signal word
Danger

Chemistry & industry

Applications · 2 items

Uses2,4-Dichloro-5-fluoropyrimidine is used in the synthesis of two glucuronic derivatives of 5-fluorouracil as neoplasm inhibitors. It is used in the synthesis of two glucuronic derivatives of 5-fluorouracil as neoplasm inhibitors.

Uses2,4-Dichloro-5-fluoropyrimidine can be used as a starting material to synthesize: 5-fluoropyrimidine-2-carboxamides and 5-fluoropyrimidine-4-carboxamides as potential kinase inhibitors. A series of 2,4-diamino-5-fluoropyrimidine derivatives as potential protein kinase Cθ inhibitors. 2,4-Bisanilinopyrimidine derivatives as potential aurora kinases inhibitors. 5-fluoro-N,N-bis(4-methoxyphenyl)-2,4-pyrimidinediamine by reacting with p-methoxy aniline in the presence of DIPEA. 2-chloro-5-fluoro-4-(4-fluorophenyl)pyrimidine by Suzuki coupling reaction in the presence of (4-fluorophenyl)boronic acid triphenylphosphine, and palladium(II) acetate catalyst. 5-fluoro-2-(piperidin-4-yloxy)pyrimidin-4-amine, a scaffold, which is used in the preparation of potent deoxycytidine kinase inhibitors.

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Related reactions

3,121 records

Linked notes

Loading…