CAS 941294-36-6 2-Chloro-4-isopropylpyrimidine (HCID 24901916)

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Basic information

CAS: 941294-36-6
Standard SMILES: CC(C)c1ccnc(Cl)n1
InChIKey: AOZNIFQUCUSYLD-UHFFFAOYSA-N
Molecular formula: C7H9ClN2
Average molar mass: 156.61 g/mol
Monoisotopic mass: 156.04542597

Names & identifiers

Preferred name: 2-Chloro-4-isopropylpyrimidine
IUPAC: 2-chloro-4-propan-2-ylpyrimidine
English name: 2-Chloro-4-isopropylpyrimidine
Molecular formula: C7H9ClN2
Molecular weight: 156.61

Names & synonyms

2-Chloro-4-isopropylpyrimidineRefChem:469029689-830-8941294-36-62-chloro-4-propan-2-ylpyrimidineMFCD094759132-chloro-4-(propan-2-yl)pyrimidineSCHEMBL558541DTXSID20647890AC7374GS2555AKOS006343276

Show more names

2-Chloro-4-isopropylpyrimidine97%Pyrimidine, 2-chloro-4-(1-methylethyl)-2-Chloro-4-(prop-2-yl)pyrimidine, 2-Chloro-4-isopropyl-1,3-diazine

SB57580PS-11845SY0233392-chloro-4-isopropylDA-00516CS-0197524F633919

Database identifiers

CAS: 941294-36-6
PubChem CID: 24901916
DTXSID: DTXSID20647890
EC Number: 689-830-8
Nikkaji: J3.391.478D

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 106

Physicochemical properties

Boiling point: 247.7 · 247.7±9.0 °C(Predicted)
Density: 1.135 · 1.135±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -0.87 · -0.87±0.20(Predicted)
form: liquid
color: Colourless
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 264 · P264-P270-P301+P310+P330-P405-P501
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.