4-Chloro-2-methylpyrimidine

HCID 424447
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Basic information

CAS
4994-86-9
Standard SMILES
Cc1nccc(Cl)n1
InChIKey
WDTVJRYCMIZPMX-UHFFFAOYSA-N
Molecular formula
C5H5ClN2
Average molar mass
128.56 g/mol
Monoisotopic mass
128.0141259

Names & identifiers

Preferred name
4-Chloro-2-methylpyrimidine
IUPAC
4-chloro-2-methylpyrimidine
English name
4-Chloro-2-methylpyrimidine
Molecular formula
C5H5ClN2
Molecular weight
128.56

Names & synonyms

4-Chloro-2-methylpyrimidine4994-86-9Pyrimidine, 4-chloro-2-methyl-DTXSID40329848RefChem:98388DTXCID20280943800-409-1WDTVJRYCMIZPMX-UHFFFAOYSA-N4-Chloro-2-methyl-pyrimidineMFCD002340692-methyl-4-chloropyrimidineAKOS000557983
Show more names
CHEMBRDG-BB 40154624-Chloro-2-methylpyrimidine95%4-Chloro-2-methylpyrimidine >2-methyl-4-chloro-[3,4-d]-pyrimidine4-chloro-2-methylpyrimidine(SALTDATA: FREE)Pyrimidine, 4-chloro-2-methyl- (7CI,8CI,9CI)
GS-58224-Chloro-2-methylpyrimidine, AldrichCPRAC-25270C2835EN300-65257BCP30392Dasatinib Impurity RDIMETHYLBENZYLCARBINYLPROPIONATE

Database identifiers

CAS
4994-86-9
PubChem CID
424447
DTXSID
DTXSID40329848
EC Number
800-409-1
Nikkaji
J526.186D

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Melting point
55 to · 55.0 to 59.0 °C
Boiling point
168 °C · 168°C(lit.)
Density
1.234 · 1.234±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Inert atmosphere,Store in freezer, under -20°C
form
powder to crystal
pka
0.47 · 0.47±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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 (66.7%)；Skin Irrit. 2 (83.3%)；Eye Dam. 1 (50%)；Eye Irrit. 2 (33.3%)；STOT SE 3 (50%)

Safety data

hs_code
2933599590
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H302
Hazard Classifications
Acute Tox. 4 Oral

Chemistry & industry

Applications

Uses4-Chloro-2-methylpyrimidine is a reagent in the preparation of (pyridylmethyl)-/(pyrimidin-4-ylmethyl)-dihydroquinolines as antagonists against CXCR4.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

35 records
New reaction record

Compound notes

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