Sodium dimethyl 5-sulphonatoisophthalate supplier

Name
Sodium dimethyl 5-sulphonatoisophthalate
EINECS 223-578-8
CAS No. 3965-55-7
Density 1.458g/cm3
Solubility 31g/L at 20℃
Melting Point >300 °C(lit.)
Formula C₁₀H₉NaO₇S
Boiling Point
Molecular Weight 296.23
Flash Point 138oC
Transport Information
Appearance white amorphous powder
Safety 26-36
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 1,3-Benzenedicarboxylicacid, 5-sulfo-, 1,3-dimethyl ester, sodium salt (9CI);Isophthalic acid,5-sulfo-, 1,3-dimethyl ester, sodium salt (7CI,8CI);3,5-Bis(carbomethoxy)benzenesulfonic acid sodium salt;3,5-Di(carbomethoxy)benzenesulfonic acid sodium salt;5-Sulfoisophthalic aciddimethyl ester sodium salt;AD 2100T;DM Sip;Dimethyl5-(sodiosulfo)isophthalate;Dimethyl 5-sulfoisophthalate sodium salt;Dimethylsodium 5-sulfoisophthalate;Dimethyl sulfoisophthalate sodium salt;Sodium3,5-(dimethoxycarbonyl)benzenesulfonate;Sodium3,5-bis(carbomethoxy)benzenesulfonate;Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate;Sodium 3,5-di(carbomethoxy)benzenesulfonate;Sodium 5-sulfoisophthalic aciddimethyl ester;Sodium dimethyl 5-sulfoisophthalate;Ukanol DM Sip;
PSA 118.18000
LogP 1.24470

Sodium dimethyl 5-sulphonatoisophthalate Consensus Reports

Reported in EPA TSCA Inventory.

Sodium dimethyl 5-sulphonatoisophthalate Specification

The IUPAC name of 3,5-Bis(methoxycarbonyl)benzenesulfonic acid sodium salt is Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate. With the CAS registry number 3965-55-7, it is also named as 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt. The product's categories are Pharmaceutical Intermediates; Anionic Surfactants; Functional Materials; Sulfonate (Surfactants); Surfactants; Organic Building Blocks; Sulfonic / Sulfinic Acid Salts; Sulfur Compounds, and the other registry numbers are 219662-81-4; 221136-58-9; 442512-05-2; 50974-97-5; 51778-93-9; 56660-04-9; 67076-13-5; 76796-13-9. Besides, it is white amorphous powder, which should be sealed in dark, ventilated and dry place at room temperature. In addition, this chemical is mainly used for compounding Polyester. It also can be used as intermediates of macromolecule synthesis, organic synthesis and fine chemical.

The other characteristics of 3,5-Bis(methoxycarbonyl)benzenesulfonic acid sodium salt can be summarized as: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (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: 7; (10)H bond donors: 1; (11)Freely Rotating Bonds: 5; (12)Rotatable Bond Count: 5; (13)Exact Mass: 295.996668; (14)MonoIsotopic Mass: 295.996668; (15)Topological Polar Surface Area: 118; (16)Heavy Atom Count: 19; (17)Complexity: 404; (18)EINECS: 223-578-8; (19)Melting point: >300 °C; (20)Density: 1.458 g/cm³.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes. You should wear suitable protective clothing when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:[Na+].O=S([O-])(=O)c1cc(cc(C(=O)OC)c1)C(=O)OC
(2)InChI:InChI=1/C10H10O7S.Na/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;/h3-5H,1-2H3,(H,13,14,15);/q;+1/p-1
(3)InChIKey:LLHSEQCZSNZLRI-REWHXWOFAV
(4)Std. InChI:InChI=1S/C10H10O7S.Na/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;/h3-5H,1-2H3,(H,13,14,15);/q;+1/p-1
(5)Std. InChIKey:LLHSEQCZSNZLRI-UHFFFAOYSA-M

The toxicity data is as follows:

eye-rbt 100 mg/24H SEV

28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,185.

Product Name

Sodium dimethyl 5-sulphonatoisophthalate

Sodium dimethyl 5-sulphonatoisophthalate Consensus Reports

Sodium dimethyl 5-sulphonatoisophthalate Specification

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