2,4-Dichloro-5-methoxypyrimidine

HCID 601401
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Substructure searchFind similar structures

Basic information

CAS
19646-07-2
Standard SMILES
COc1cnc(Cl)nc1Cl
InChIKey
ZTHHRSBDBPCCMZ-UHFFFAOYSA-N
Molecular formula
C5H4Cl2N2O
Average molar mass
179 g/mol
Monoisotopic mass
177.9700681

Names & identifiers

Preferred name
2,4-Dichloro-5-methoxypyrimidine
IUPAC
2,4-dichloro-5-methoxypyrimidine
English name
2,4-Dichloro-5-methoxypyrimidine
Molecular formula
C5H4Cl2N2O
Molecular weight
179

Names & synonyms

2,4-Dichloro-5-methoxypyrimidine19646-07-2DTXSID00345044RefChem:82338DTXCID50296118628-558-6ZTHHRSBDBPCCMZ-UHFFFAOYSA-N2,4-Dichloro-5-methoxy-pyrimidineMFCD02685670Pyrimidine, 2,4-dichloro-5-methoxy-5-METHOXY-2,4-DICHLOROPYRIMIDINE5-METHOXY-2,4-DICHLORO PYRIMIDINE
Show more names
SPECS AO-324/25087002Acrylamide Impurity 23oro-5-methoxypyrimidine4-Dichloro-5-Methoxy pyriMidine2,4-Dichloro-5-methoxpyrimidine2,4-AICHLORO-5-METHOXY PYRIMIDINE2,4- twochloro -5-MethoxypyriMidine2,4-Dichloro-5-methoxypyrimidine>
SCHEMBL145005SCHEMBL295568502,4 dichloro-5-methoxypyrimidine2,4-Dichloro-5-methoxy-pyrimidin2,6-dichloro-5-methoxy pyrimidineSBB089497AKOS005256731AB12653

Database identifiers

CAS
19646-07-2
PubChem CID
601401
DTXSID
DTXSID00345044
EC Number
628-558-6
Nikkaji
J526.225I

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
35 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Melting point
66 · 66-70 °C
Boiling point
259.9 · 259.9±20.0 °C(Predicted)
Density
1.446 · 1.446±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
form
powder to crystal
pka
-2.67 · -2.67±0.29(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)；Skin Irrit. 2 (97.6%)；Eye Dam. 1 (95.2%)；STOT SE 3 (95.2%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
3
hs_code
29335990
risk_code
22-37/38-41
Signal word
Danger
Symbol(GHS)
GHS05,GHS07

Chemistry & industry

Applications

UsesIt is used for preparation of heteroarylpiperazine derivatives for use in treatment of Alzheimer's disease.

Uses2,4-Dichloro-5-methoxypyrimidine can be used for preparation of heteroarylpiperazine derivatives for use in treatment of Alzheimer's disease.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
杭州布朗生物医药科技有限公司15967138206

Related reactions

41 records
New reaction record

Compound notes

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