2,7-Naphthalenedisulfonicacid, 4-(benzoylamino)-5-hydroxy- supplier

Name
N-BENZOYL H ACID
EINECS 204-192-9
CAS No. 117-46-4
Article Data4
CAS DataBase
Density 1.718 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₃NO₈S₂
Boiling Point
Molecular Weight 423.424
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Naphthol-3,6-disulfonicacid, 8-benzamido- (6CI);2,7-Naphthalenedisulfonic acid, 4-benzamido-5-hydroxy-(7CI,8CI);1-(Benzoylamino)-8-hydroxy-3,6-naphthalenedisulfonic acid;1-Benzamido-8-hydroxy-3,6-naphthalenedisulfonic acid;1-Hydroxy-8-benzoylaminonaphthalene-3,6-disulfonic acid;4-Benzamido-5-hydroxy-2,7-naphthalenedisulfonic acid;8-(Benzoylamino)-1-hydroxy-3,6-naphthalenedisulfonicacid;8-Benzamido-1-hydroxy-3,6-naphthalenedisulfonic acid;8-Benzamido-1-naphthol-3,6-disulfonic acid;N-Benzoyl H-acid;NCI 16169;NSC16169;
PSA 174.83000
LogP 4.52570

2,7-Naphthalenedisulfonicacid, 4-(benzoylamino)-5-hydroxy- Specification

The 2,7-Naphthalenedisulfonicacid, 4-(benzoylamino)-5-hydroxy- is an organic compound with the formula C₁₇H₁₃NO₈S₂. The IUPAC name of this chemical is 4-benzamido-5-hydroxynaphthalene-2,7-disulfonic acid. With the CAS registry number 117-46-4, it is also named as 4-(benzoylamino)-5-hydroxy-2,7-naphthalenedisulfonic acid.

Physical properties about 2,7-Naphthalenedisulfonicacid, 4-(benzoylamino)-5-hydroxy- are: (1)ACD/LogP: -1.77; (2)ACD/LogD (pH 5.5): -6.27; (3)ACD/LogD (pH 7.4): -6.32; (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: 9; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 133.04 Å²; (12)Index of Refraction: 1.742; (13)Molar Refractivity: 99.64 cm³; (14)Molar Volume: 246.4 cm³; (15)Polarizability: 39.5×10^-24cm³; (16)Surface Tension: 90.9 dyne/cm; (17)Density: 1.718 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c2cc(NC(=O)c1ccccc1)c3c(c2)cc(cc3O)S(=O)(=O)O
(2)InChI: InChI=1/C17H13NO8S2/c19-15-9-13(28(24,25)26)7-11-6-12(27(21,22)23)8-14(16(11)15)18-17(20)10-4-2-1-3-5-10/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26)
(3)InChIKey: RKKZDGOUSIOSIY-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C17H13NO8S2/c19-15-9-13(28(24,25)26)7-11-6-12(27(21,22)23)8-14(16(11)15)18-17(20)10-4-2-1-3-5-10/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26)
(5)Std. InChIKey: RKKZDGOUSIOSIY-UHFFFAOYSA-N

Product Name

N-BENZOYL H ACID

2,7-Naphthalenedisulfonicacid, 4-(benzoylamino)-5-hydroxy- Specification

Related Products

Hot Products