4-Chloro-3-methoxy-2-methylpyridine

Pantoprazole Impurity 23 · 4-Chloro-3-methoxy-2-methylpyridine · Pyridine, 4-chloro-3-methoxy-2-methyl-

Identifiers & Physical Properties

CAS No.	107512-34-5
Molecular formula	C7H8ClNO
Average molar mass	157.6 g/mol
Monoisotopic mass	157.02944156 g/mol
SMILES	COc1c(Cl)ccnc1C
InChIKey	RYGXNMUVOHCPBF-UHFFFAOYSA-N
PubChem CID	10583046
EC No.	600-829-3
DTXSID	DTXSID50441989

XLogP	1.9
Topological polar surface area	22.1
Hydrogen bond donors	0
Hydrogen bond acceptors	2
Rotatable bonds	1
Heavy atoms	10
Formal charge	0
Complexity	110
Boiling point	206.1±35.0 °C(Predicted)
Density	1.168±0.06 g/cm3(Predicted)
Storage conditions	under inert gas (nitrogen or Argon) at 2-8°C
Physical state	solid
pKa (acidity coefficient)	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
NACRES	NA.21
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H302-H315-H319-H335
GHS precautionary statements	P261-P305+P351+P338
Water hazard class (WGK)	WGK 3
Customs code	2933399990
Storage class	11 - Combustible Solids
Hazard class	Acute Tox. 4 Oral

GHS classification	WarningH302 (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.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Water hazard class (WGK)	WGK 3
Customs code	2933399990
Signal word	Warning
GHS pictogram	GHS07
Storage class	11 - Combustible Solids
GHS hazard statements	H302-H315-H319-H335
Hazard class	Acute Tox. 4 Oral
GHS precautionary statements	P261-P305+P351+P338

4-Chloro-3-methoxy-2-methylpyridine is a useful synthetic compound