4-Amino-2-chloro-6-methyl-5-nitropyrimidine

HCID 227459

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Basic information

CAS: 5453-06-5
Standard SMILES: Cc1nc(Cl)nc(N)c1[N+](=O)[O-]
InChIKey: ZBYYVBFAHVINCE-UHFFFAOYSA-N
Molecular formula: C5H5ClN4O2
Average molar mass: 188.57 g/mol
Monoisotopic mass: 188.0101031

Names & identifiers

Preferred name: 4-Amino-2-chloro-6-methyl-5-nitropyrimidine
IUPAC: 2-chloro-6-methyl-5-nitropyrimidin-4-amine
English name: 4-AMINO-2-CHLORO-6-METHYL-5-NITROPYRIMIDINE
Molecular formula: C5H5ClN4O2
Molecular weight: 188.57

Names & synonyms

4-Amino-2-chloro-6-methyl-5-nitropyrimidineDTXSID50280911RefChem:517614DTXCID40232065668-874-15453-06-52-chloro-6-methyl-5-nitropyrimidin-4-amineMFCD000231984-Pyrimidinamine, 2-chloro-6-methyl-5-nitro-NSC190542-chloro-6-methyl-5-nitro-pyrimidin-4-ylamineSCHEMBL166184

Show more names

NSC 19054IFLAB-BB F2124-01794-Amino-5-nitro-6-methyl-2-chloropyrimidine2-chloro-6-methyl-5-nitro-pyrimidin-4-amine(2-chloro-6-methyl-5-nitro-pyrimidin-4-yl)amine

ZBYYVBFAHVINCE-UHFFFAOYSA-NNSC-19054AKOS000320476SB55611AS-66471DB-0525992-Chloro-6-methyl-5-nitro-4-pyrimidinamineCS-0107358

Database identifiers

CAS: 5453-06-5
PubChem CID: 227459
DTXSID: DTXSID50280911
EC Number: 668-874-1

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 97.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 185

Physicochemical properties

Melting point: 166 · 166-170°C
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility: Dichloromethane (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form: Solid
color: Pale Yellow to Orange
Stability: Toxic
CAS DataBase Reference: 5453 · 5453-06-5
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 305 · P305+P351+P338
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22
Safety Statements: 36 · 36/37
HS Code: 29335990 · 29335990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.