4-Chloro-3-methoxy-2-methylpyridine

HCID 10583046CAS 107512-34-5

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Basic information

Standard SMILES: COc1c(Cl)ccnc1C
InChIKey: RYGXNMUVOHCPBF-UHFFFAOYSA-N
Molecular formula: C7H8ClNO
Average molar mass: 157.6 g/mol
Monoisotopic mass: 157.02944156

Names & identifiers

Preferred name: 4-Chloro-3-methoxy-2-methylpyridine
IUPAC: 4-chloro-3-methoxy-2-methylpyridine
English name: 4-Chloro-3-methoxy-2-methylpyridine
Molecular formula: C7H8ClNO
Molecular weight: 157.6

Names & synonyms

4-CHLORO-3-METHOXY-2-METHYLPYRIDINE107512-34-5DTXSID50441989RefChem:98430DTXCID40392810600-829-3MFCD16610605Pyridine, 4-chloro-3-methoxy-2-methyl-4-chloro-3-methoxy-2-methyl-pyridineSCHEMBL900450Pantoprazole Sodium Impurity 102-methyl-3-methoxy-4-chloropyridine

Show more names

Pantoprazole Impurity 23

AKOS016845851PB19448TPC6T9E3YHSCHEMBL30230932ALBB-027299AS-34796SY042275CS-0050928

Database identifiers

CAS: 107512-34-5
PubChem CID: 10583046
DTXSID: DTXSID50441989
UNII: TPC6T9E3YH
EC Number: 600-829-3

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Boiling point: 206.1 · 206.1±35.0 °C(Predicted)
Density: 1.168 · 1.168±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: solid
pka: 5.45 · 5.45±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: 1S/C7H8ClNO/c1-5-7(10-2)6(8)3-4-9-5/h3-4H,1-2H3
InChIKey: RYGXNMUVOHCPBF-UHFFFAOYSA-N
SMILES: COC1=C(C=CN=C1C)Cl
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
WGK Germany: 3 · WGK 3
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.