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1-Naphthylamine-2-sulfonic acid

HCID 6667
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Basic information

CAS
81-06-1
Standard SMILES
Nc1c(S(=O)(=O)O)ccc2ccccc12
InChIKey
ONZWNZGVZFLMNZ-UHFFFAOYSA-N
Molecular formula
C10H9NO3S
Average molar mass
223.25 g/mol
Monoisotopic mass
223.03031432

Names & identifiers

Preferred name
1-Naphthylamine-2-sulfonic acid
IUPAC
1-aminonaphthalene-2-sulfonic acid
English name
1-Amino-2-naphthalenesulfonic acid
Molecular formula
C10H9NO3S
Molecular weight
223.25

Names & synonyms

81-06-11-naphthylamine-2-sulfonic acid1-AMINO-2-NAPHTHALENESULFONIC ACID1-Aminonaphthalene-2-sulphonic acid2-Naphthalenesulfonic acid, 1-amino-N3P4M2L23XEINECS 201-320-5J4.351FDTXSID7058838.ALPHA.-NAPHTHYLAMINE-2-SULFONIC ACIDALPHA-NAPHTHYLAMINE-2-SULFONIC ACIDRefChem:435040
Show more names
ONZWNZGVZFLMNZ-UHFFFAOYSA-N1,2-Naphthylaminesulfonic acidα-Naphthylamine-2-sulfonic acid1-amino-2-naphthalenesulfonicaci1-aminonaphthalene-2-sulfonicaci
DTXCID0048185201-320-51-aminonaphthalene-2-sulfonic acid1-Naphthylamine-2-sulfonicacido-NAPHTHIONIC ACIDUNII-N3P4M2L23X1.4-NaphthylaminsulfosaureSCHEMBL156836

Database identifiers

CAS
81-06-1
PubChem CID
6667
DTXSID
DTXSID7058838
UNII
N3P4M2L23X
EC Number
201-320-5
Nikkaji
J4.351F

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
88.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
322

Experimental & physicochemical properties

LogP-0.97

Physicochemical properties

Density
1.3588 · 1.3588 (rough estimate)
refractive index
1.65 · 1.6500 (estimate)
pka
1 · pK1: 1.71 (25°C)
Water Solubility
4.1 g/L · 4.1g/L(20 ºC)
FDA UNII
3 P4M2L23X · N3P4M2L23X
EPA Substance Registry System
2 · 2-Naphthalenesulfonic acid, 1-amino- (81-06-1)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Naphthalenesulfonic acid, 1-amino-: INACTIVE

Upstream & downstream products

Upstream raw materials

1-NaphthylamineSulfuric acid

Related reactions

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Compound notes

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