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1,5-Naphthalenedisulfonic acid

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Name

1,5-Naphthalenedisulfonic acid

EINECS 201-317-9
CAS No. 81-04-9 Density 1.704 g/cm3
PSA 125.50000 LogP 3.49480
Solubility 90.52g/L at 25℃ Melting Point 242.5°C (rough estimate)
Formula C10H8O6S2 Boiling Point 400.53°C (rough estimate)
Molecular Weight 288.302 Flash Point N/A
Transport Information UN 2585 Appearance Light yellow crystale
Safety 22-24/25-45-36/37/39-26 Risk Codes 34
Molecular Structure Molecular Structure of 81-04-9 (1,5-Naphthalenedisulfonic acid) Hazard Symbols CorrosiveC
Synonyms

Armstrong'sacid;NSC 9588;Napadisylic acid;naphthalene-1,5-disulfonic acid;

Article Data 33

1,5-Naphthalenedisulfonic acid Consensus Reports

Reported in EPA TSCA Inventory.

1,5-Naphthalenedisulfonic acid Specification

The 1,5-Naphthalenedisulfonic acid, with the CAS registry number 81-04-9 and EINECS registry number 201-317-9, has the systematic name of naphthalene-1,5-disulfonic acid. And the molecular formula of this chemical is C10H8O6S2. It belongs to the following product categories: Intermediates of Dyes and Pigments; Organic acids. It can be prepared by the sulfonation of naphthaline. It is often used in chemical synthesis. It is sometimes used as a divalent counterion for forming salts of basic drug compounds, as an alternative to the related mesylate or tosylate salts.

The physical properties of 1,5-Naphthalenedisulfonic acid are as following:
 (1)ACD/LogP: -0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.55; (4)ACD/LogD (pH 7.4): -4.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 103.5 Å2; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 65 cm3; (15)Molar Volume: 169.1 cm3; (16)Polarizability: 25.77 10-24cm3; (17)Surface Tension: 76.4 dyne/cm; (18)Density: 1.704 g/cm3.

Safety Information of 1,5-Naphthalenedisulfonic acid:
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Do not breathe dust and then try to avoid contacting with skin and eyes; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cccc2c1cccc2S(=O)(=O)O
(2)InChI: InChI=1/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
(3)InChIKey: XTEGVFVZDVNBPF-UHFFFAOYAR

The toxicity data of 1,5-Naphthalenedisulfonic acid is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 47gm/kg (47000mg/kg) LIVER: LIVER FUNCTION TESTS IMPAIRED

KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 73, 1980.
mouse LD50 oral 47gm/kg (47000mg/kg) LIVER: LIVER FUNCTION TESTS IMPAIRED

KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 73, 1980.
rabbit LD50 oral 30gm/kg (30000mg/kg) LIVER: LIVER FUNCTION TESTS IMPAIRED

KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 73, 1980.
rat LD50 oral 30gm/kg (30000mg/kg) LIVER: LIVER FUNCTION TESTS IMPAIRED

KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 73, 1980.

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