5-Amino-2-methylbenzenesulfonic Acid - CAS 118-88-7

Catalog:	BB004320
Product Name:	5-Amino-2-methylbenzenesulfonic Acid
CAS:	118-88-7
Synonyms:	5-amino-2-methylbenzenesulfonic acid; 5-amino-2-methylbenzenesulfonic acid

Technical Data

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Computed Properties

IUPAC Name:	5-amino-2-methylbenzenesulfonic acid
Description:	4-Amino-2-sulfotoluene can be used to treat bacterial infections.
Molecular Weight:	187.22
Molecular Formula:	C7H9NO3S
Canonical SMILES:	CC1=C(C=C(C=C1)N)S(=O)(=O)O
InChI:	InChI=1S/C7H9NO3S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
InChI Key:	BRKFTWHPLMMNHF-UHFFFAOYSA-N
Density:	1.431 g/cm³
Appearance:	Yellow crystalline powder
LogP:	2.48590

Publication Number	Title	Priority Date
CN-112679687-A	Hydroxysulfonic acid hydrophilic monomer and preparation method and application thereof	20201224
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GHS Hazard Statement:	H314 (85.71%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P332+P313, P362, P363, P405, and P501
Signal Word:	Danger

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.03031432
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	187.03031432
Rotatable Bond Count:	1
Topological Polar Surface Area:	88.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4