4,6-Dichloro-2-methyl-5-nitropyrimidine

HCID 83192CAS 13162-43-1
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nc(Cl)c([N+](=O)[O-])c(Cl)n1
InChIKey
OPXGPTXSLFZVCA-UHFFFAOYSA-N
Molecular formula
C5H3Cl2N3O2
Average molar mass
208 g/mol
Monoisotopic mass
206.9602317

Names & identifiers

Preferred name
4,6-Dichloro-2-methyl-5-nitropyrimidine
IUPAC
4,6-dichloro-2-methyl-5-nitropyrimidine
English name
4,6-Dichloro-2-methyl-5-nitropyrimidine
Molecular formula
C5H3Cl2N3O2
Molecular weight
208

Names & synonyms

4,6-Dichloro-2-methyl-5-nitropyrimidinePyrimidine, 4,6-dichloro-2-methyl-5-nitro-EINECS 236-105-5DTXSID4065367RefChem:96622DTXCID1034056236-105-5OPXGPTXSLFZVCA-UHFFFAOYSA-N13162-43-1MFCD000605274,6-Dichloro-2-methyl-5-nitro-pyrimidine2-methyl-4,6-dichloro-5-nitropyrimidine
Show more names
2-Methyl-5-nitro-4,6-dichloro-pyriMidine4,6-Dichloro-2-methyl-5-nitropyrimidine ISO 9001：2015 REACH4,6-Dichloro-2-methyl-5-nitropyrimidine4,6-Dichloro-2-methyl-5-nitropyrimidinev
SCHEMBL1123974AKOS002662681CS-W000839GS-5777SB60475AC-23042SY0213802-methyl-4,6-dichloro-5-nitro-pyrimidine

Database identifiers

CAS
13162-43-1
PubChem CID
83192
DTXSID
DTXSID4065367
EC Number
236-105-5
Nikkaji
J317.843I

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
71.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Boiling point
310.4 · 310.4±37.0 °C(Predicted)
Density
1.626 · 1.626±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
-7.02 · -7.02±0.39(Predicted)
Appearance
Off-white to light yellow Solid
InChI
InChI=1S/C5H3Cl2N3O2/c1-2-8-4(6)3(10(11)12)5(7)9-2/h1H3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P280-P305+P351+P338-P310

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPyrimidine, 4,6-dichloro-2-methyl-5-nitro-: INACTIVE

Upstream & downstream products

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]

Related reactions

143 records
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Linked notes

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