6-Methylpyridine-3-sulfonic acid - CAS 4808-69-9

Catalog:	BB053782
Product Name:	6-Methylpyridine-3-sulfonic acid
CAS:	4808-69-9
Synonyms:	3-Pyridinesulfonic acid, 6-methyl-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	6-methylpyridine-3-sulfonic acid
Molecular Weight:	173.19
Molecular Formula:	C6H7NO3S
Canonical SMILES:	CC1=NC=C(C=C1)S(=O)(=O)O
InChI:	InChI=1S/C6H7NO3S/c1-5-2-3-6(4-7-5)11(8,9)10/h2-4H,1H3,(H,8,9,10)
InChI Key:	QFPGRDDFLCHSMR-UHFFFAOYSA-N
Purity:	95%
Density:	1.4±0.1 g/cm3
Appearance:	Solid

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Related Functional Groups

Pyridines

[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[149463-07-0]
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[4926-28-7]
2-Bromo-4-methylpyridine
[2122800-15-9]
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine
[76006-14-9]
3-Chloro-1H-pyrazolo[3,4-c]pyridine
[2241983-13-9]
5-[(8S,9S,13S,14S)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthren-17-yl]pyridine-2-D

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[1778-09-2]
4'-(Methylthio)acetophenone
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[1879-16-9]
4-Methoxythioanisole

GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
Signal Word:	Warning

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.01466426
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.01466426
Rotatable Bond Count:	1
Topological Polar Surface Area:	75.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0