2-Chloro-5-methoxypyrimidine

HCID 589058CAS 22536-65-8

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cnc(Cl)nc1
InChIKey: RSUBGBZOMBTDTI-UHFFFAOYSA-N
Molecular formula: C5H5ClN2O
Average molar mass: 144.56 g/mol
Monoisotopic mass: 144.00904046

Names & identifiers

Preferred name: 2-Chloro-5-methoxypyrimidine
IUPAC: 2-chloro-5-methoxypyrimidine
English name: 2-Chloro-5-methoxypyrimidine
Molecular formula: C5H5ClN2O
Molecular weight: 144.56

Names & synonyms

2-Chloro-5-methoxypyrimidine22536-65-8DTXSID60343329RefChem:86301DTXCID20294409636-584-4RSUBGBZOMBTDTI-UHFFFAOYSA-NPyrimidine, 2-chloro-5-methoxy-MFCD087027702-chloro-5-methoxy-pyrimidine2-chlor-5-methoxy-pyrimidine2-Chloro-5-methoxypyrimidine, 97%

Show more names

PyriMidine,2-chloro-5-Methoxy-2-Chloro-5-methoxypyrimidine >2-Chloro-5-MethoxypyriMidine 97%2-CHLORO-5-(METHOXY-D3)PYRIMIDINE2-Chloro-5-methoxypyrimidine, 97%,Pyrimidine, 2-chloro-5-methoxy- (8CI,9CI)2-Chloro-5-methoxypyrimidine ISO 9001：2015 REACH

GS-5801PB32662C2693EN300-2074852-chloranyl-5-methoxy-pyrimidineBCP22872A4828AM20090224

Database identifiers

CAS: 22536-65-8
PubChem CID: 589058
DTXSID: DTXSID60343329
EC Number: 636-584-4
Nikkaji: J526.201A

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 35 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 83

Physicochemical properties

Melting point: 73 · 73-78℃
Boiling point: 268.8 · 268.8±13.0 °C(Predicted)
Density: 1.292 · 1.292±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: -1.26 · -1.26±0.22(Predicted)
color: White to Almost white
InChI: InChI=1S/C5H5ClN2O/c1-9-4-2-7-5(6)8-3-4/h2-3H,1H3
InChIKey: RSUBGBZOMBTDTI-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(OC)C=N1
CAS DataBase Reference: 22536 · 22536-65-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 37 · 37/38-41
Safety Statements: 26 · 26-39
WGK Germany: 3 · 3
HS Code: 29335990 · 29335990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]

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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.