CAS
98358-64-6 Purity
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98358-64-6 Purity
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3-Amino-4-chloro-benzenesulfonic acid
CAS
98-36-2
Catalog Number
ACM98362
Category
Other Products
Molecular Weight
207.63
Molecular Formula
C6H6ClNO3S
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Specification
Synonyms
4-Chlorometanilic acid, Metanilic acid, 4-chloro-, 3-Amino-4-chlorobenzenesulfonic acid, o-Chloroaniline m-sulfonic acid, 2-Chloroaniline-5-sulfonic acid, NSC7538, Metanilic acid, 4-chloro- (8CI), NSC59702, EINECS 202-661-2, NSC 59702, SBB003474, 3-Amino-4-chlorobenzenesulphonic acid, Benzenesulfonic acid, 3-amino-4-chloro-, 98-36-2
IUPAC Name
3-amino-4-chlorobenzenesulfonic acid
Canonical SMILES
C1=CC(=C(C=C1S(=O)(=O)O)N)Cl
InChI Key
XJQRCFRVWZHIPN-UHFFFAOYSA-N
Boiling Point
500ºC
Melting Point
300ºC
Density
1.642 g/cm³
Appearance
Pinkish fine crystalline powder solid.
EC Number
202-661-2
Exact Mass
206.97600
Hazard Statements
Xi:Irritant;
H-Bond Acceptor
4
H-Bond Donor
2
Safety Description
S26-S37/39
What is the molecular formula of 3-Amino-4-chloro-benzenesulfonic acid?
The molecular formula of 3-Amino-4-chloro-benzenesulfonic acid is C6H6ClNO3S.
What is the molecular weight of 3-Amino-4-chloro-benzenesulfonic acid?
The molecular weight of 3-Amino-4-chloro-benzenesulfonic acid is 207.64 g/mol.
What is the IUPAC name of 3-Amino-4-chloro-benzenesulfonic acid?
The IUPAC name of 3-Amino-4-chloro-benzenesulfonic acid is 3-amino-4-chlorobenzenesulfonic acid.
What is the InChI of 3-Amino-4-chloro-benzenesulfonic acid?
The InChI of 3-Amino-4-chloro-benzenesulfonic acid is InChI=1S/C6H6ClNO3S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,8H2,(H,9,10,11).
What is the InChIKey of 3-Amino-4-chloro-benzenesulfonic acid?
The InChIKey of 3-Amino-4-chloro-benzenesulfonic acid is XJQRCFRVWZHIPN-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Amino-4-chloro-benzenesulfonic acid?
The canonical SMILES of 3-Amino-4-chloro-benzenesulfonic acid is C1=CC(=C(C=C1S(=O)(=O)O)N)Cl.
What is the CAS number of 3-Amino-4-chloro-benzenesulfonic acid?
The CAS number of 3-Amino-4-chloro-benzenesulfonic acid is 98-36-2.
What is the hydrogen bond donor count of 3-Amino-4-chloro-benzenesulfonic acid?
The hydrogen bond donor count of 3-Amino-4-chloro-benzenesulfonic acid is 2.
What is the topological polar surface area of 3-Amino-4-chloro-benzenesulfonic acid?
The topological polar surface area of 3-Amino-4-chloro-benzenesulfonic acid is 88.82.
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