2-Naphthalenesulfonicacid, 6-(acetylamino)- supplier

Name
6-acetamidonaphthalene-2-sulphonic acid
EINECS 269-189-7
CAS No. 68189-32-2
Article Data4
CAS DataBase
Density 1.478 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁NO₄S
Boiling Point
Molecular Weight 265.29
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Naphthalenesulfonicacid, 6-acetamido- (4CI);6-acetamidonaphthalene-2-sulphonic acid;6-Acetamido-2-naphthalenesulfonic acid;6-Acetylamino-2-naphthalenesulfonicacid;
PSA 91.85000
LogP 3.19870

Synthetic route

: 108-24-7
acetic anhydride

2-amino-naphthalene-sulfonic acid-(6): 2-amino-naphthalene-sulfonic acid-(6)

: 68189-32-2
6-acetylamino-naphthalene-2-sulfonic acid

Conditions

Conditions	Yield
With pyridine

: 108-24-7
acetic anhydride

: 93-00-5
Bronner acid

: 68189-32-2
6-acetylamino-naphthalene-2-sulfonic acid

Conditions

Conditions	Yield
In water at 25℃;	144.5 g

: 68189-32-2
6-acetylamino-naphthalene-2-sulfonic acid

: 1221150-08-8
C35H23N5O11S5

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: chlorosulfonic acid / 1 h / 20 °C 2.1: sodium carbonate / water; acetone / 10 - 13 °C / pH 7 - 8 3.1: hydrogenchloride / water / 2.5 h / 80 °C 4.1: hydrogenchloride; sodium nitrite / water / 1 h / 0 - 10 °C 4.2: 20 - 25 °C View Scheme

: 68189-32-2
6-acetylamino-naphthalene-2-sulfonic acid

: C54H36N10O17S7

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: chlorosulfonic acid / 1 h / 20 °C 2.1: sodium carbonate / water; acetone / 10 - 13 °C / pH 7 - 8 3.1: hydrogenchloride / water / 2.5 h / 80 °C 4.1: hydrogenchloride; sodium nitrite / water / 1 h / 0 - 10 °C 4.2: 20 - 25 °C 5.1: isopentyl nitrite / water / 2.5 h / 45 °C View Scheme

: 68189-32-2
6-acetylamino-naphthalene-2-sulfonic acid

: 28131-80-8
6-Acetylamino-2-naphthalenesulfonyl chloride

Conditions

Conditions	Yield
With chlorosulfonic acid at 20℃; for 1h;	49.1 g

: 68189-32-2
6-acetylamino-naphthalene-2-sulfonic acid

: 1221150-06-6
C22H18N2O12S4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: chlorosulfonic acid / 1 h / 20 °C 2: sodium carbonate / water; acetone / 10 - 13 °C / pH 7 - 8 View Scheme

: 68189-32-2
6-acetylamino-naphthalene-2-sulfonic acid

: 1221150-07-7
C20H16N2O11S4

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: chlorosulfonic acid / 1 h / 20 °C 2: sodium carbonate / water; acetone / 10 - 13 °C / pH 7 - 8 3: hydrogenchloride / water / 2.5 h / 80 °C View Scheme

2-Naphthalenesulfonicacid, 6-(acetylamino)- Specification

The CAS register number of 2-Naphthalenesulfonicacid, 6-(acetylamino)- is 68189-32-2. It also can be called as 6-Acetylamino-2-naphthalenesulfonicacid and the systematic name about this chemical is 6-(acetylamino)naphthalene-2-sulfonic acid. The molecular formula about this chemical is C₁₂H₁₁NO₄S and the molecular weight is 265.28504.

Physical properties about 2-Naphthalenesulfonicacid, 6-(acetylamino)- are: (1)ACD/LogP: 0.57; (2)ACD/LogD (pH 5.5): -2.93; (3)ACD/LogD (pH 7.4): -2.94; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 72.06 Å²; (12)Index of Refraction: 1.678; (13)Molar Refractivity: 67.68 cm³; (14)Molar Volume: 179.4 cm³; (15)Polarizability: 26.83x10^-24cm³; (16)Surface Tension: 68.9 dyne/cm; (17)Density: 1.478 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c2ccc1c(ccc(c1)NC(=O)C)c2
(2)InChI: InChI=1/C12H11NO4S/c1-8(14)13-11-4-2-10-7-12(18(15,16)17)5-3-9(10)6-11/h2-7H,1H3,(H,13,14)(H,15,16,17)
(3)InChIKey: ANUPUAXCNMXHNF-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C12H11NO4S/c1-8(14)13-11-4-2-10-7-12(18(15,16)17)5-3-9(10)6-11/h2-7H,1H3,(H,13,14)(H,15,16,17)
(5)Std. InChIKey: ANUPUAXCNMXHNF-UHFFFAOYSA-N

Product Name

6-acetamidonaphthalene-2-sulphonic acid

Synthetic route

2-Naphthalenesulfonicacid, 6-(acetylamino)- Specification

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