Sodium 4-chloro-3-nitrobenzenesulfonate supplier

Name
4-CHLORO-3-NITROBENZENESULFONIC ACID, SODIUM SALT
EINECS 241-680-0
CAS No. 17691-19-9
Article Data1
CAS DataBase
Density 1.747[at 20℃]
Solubility 1000g/L at 25℃
Melting Point 204-208?°C(lit.)
Formula C₆H₃ClNNaO₅S
Boiling Point 595.75℃[at 101 325 Pa]
Molecular Weight 259.602
Flash Point
Transport Information
Appearance Slightly yellow crystalline powder
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzenesulfonicacid, 4-chloro-3-nitro-, sodium salt (6CI,9CI);Sodium 1-chloro-2-nitrobenzene-4-sulfonate;benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1);Sodium 4-chloro-3-nitrobenzenesulfonate;Sodium-3-nitro-4-chloro-benzene sulfonic acid;
PSA 111.40000
LogP 2.75630

Sodium 4-chloro-3-nitrobenzenesulfonate Specification

The Benzenesulfonic acid,4-chloro-3-nitro-, sodium salt (1:1), with the CAS registry number 17691-19-9 and EINECS registry number 241-680-0, has the systematic name of sodium 4-chloro-3-nitrobenzenesulfonate. It is a kind of slightly yellow crystalline powder, and belongs to the following product categories: Intermediates of Dyes and Pigments; Organic Building Blocks; Sulfonic/Sulfinic Acids; Sulfur Compounds. And the molecular formula of the chemical is C₆H₃ClNNaO₅S.

The characteristics of Benzenesulfonic acid,4-chloro-3-nitro-, sodium salt (1:1) are as followings: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.16; (4)ACD/LogD (pH 7.4): -2.16; (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: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 108.57 Å².

Uses of Benzenesulfonic acid,4-chloro-3-nitro-, sodium salt (1:1): It can react with methyl-triphenyl-phosphonium; bromide to produce methyltriphenylphosphonium 4-chloro-3-nitrobenzenesulfonate. This reaction will need menstruum H₂O, and the yield is about 91.8%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].O=[N+]([O-])c1cc(ccc1Cl)S([O-])(=O)=O
(2)InChI: InChI=1/C6H4ClNO5S.Na/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,(H,11,12,13);/q;+1/p-1
(3)InChIKey: POUGKTDTYSAMAT-REWHXWOFAM

Product Name

4-CHLORO-3-NITROBENZENESULFONIC ACID, SODIUM SALT

Sodium 4-chloro-3-nitrobenzenesulfonate Specification

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