Triethylammonium p-toluenesulfonate - CAS 15404-00-9

Catalog:	BB053679
Product Name:	Triethylammonium p-toluenesulfonate
CAS:	15404-00-9
Synonyms:	Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1); N,N-diethylethanamine 4-methylbenzenesulfonic acid; 4-Methylbenzenesulfonic acid, triethylamine salt

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	N,N-diethylethanamine;4-methylbenzenesulfonic acid
Molecular Weight:	273.39
Molecular Formula:	C7H8O3S.C6H15N
Canonical SMILES:	CCN(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)O
InChI:	InChI=1S/C7H8O3S.C6H15N/c1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3/h2-5H,1H3,(H,8,9,10);4-6H2,1-3H3
InChI Key:	MMVUZMIOJNPDME-UHFFFAOYSA-N
Boiling Point:	399.4°C at 760 mmHg

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Related Functional Groups

Amines and Anilines

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde

Arenes

[15522-59-5]
Tetrabutylammonium tetraphenylborate
[52159-67-8]
Methyl 3-chloro-2-hydroxybenzoate
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate
[1292836-16-8]
1-(4-Chloro-2-fluoro-5-nitrophenyl)ethanone
[10442-48-5]
2-(4-Iodophenoxy)propanoic Acid
[1198396-39-2]
2-bromo-11,11-dimethyl-11H-Benzo[b]fluorene

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[1778-09-2]
4'-(Methylthio)acetophenone
[5310-68-9]
4-Chlorophenylsulphur pentafluoride

GHS Hazard Statement:	H302 (98.89%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (98.89%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.13986477
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	273.13986477
Rotatable Bond Count:	4
Topological Polar Surface Area:	66
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0