1-Butanesulfonic acid,4-bromo-, sodium salt (1:1) supplier

Name
sodium 4-bromobutane-1-sulphonate
EINECS 258-614-1
CAS No. 53535-08-3
Density
Solubility
Melting Point
Formula C₄H₈BrNaO₃S
Boiling Point
Molecular Weight 239.06329
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Butanesulfonicacid, 4-bromo-, sodium salt (9CI);Sodium 4-bromobutanesulfonate;
PSA 65.58000
LogP 1.78750

1-Butanesulfonic acid,4-bromo-, sodium salt (1:1) Specification

The 1-Butanesulfonic acid,4-bromo-, sodium salt (1:1), with the CAS registry number 53535-08-3, is also known as Sodium 4-bromobutanesulfonate. Its EINECS registry number is 258-614-1. This chemical's molecular formula is C₄H₈BrNaO₃S and molecular weight is 239.06329. What's more, both its IUPAC name and systematic name are the same which is called Sodium 4-bromobutane-1-sulfonate.

Physical properties about 1-Butanesulfonic acid,4-bromo-, sodium salt (1:1) are: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.54; (4)ACD/LogD (pH 7.4): -3.72; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 62.75 Å².

Uses of 1-Butanesulfonic acid,4-bromo-, sodium salt (1:1): it is used to produce other chemicals. For example, it is used to produce 4-Amino-butane-1-sulfonic acid. The reaction occurs with reagent NH₄OH. The yield is 76 %.

1-Butanesulfonic acid,4-bromo-, sodium salt (1:1) is used to produce 4-Amino-butane-1-sulfonic acid.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[O-]S(=O)(=O)CCCCBr
(2) InChI: InChI=1/C4H9BrO3S.Na/c5-3-1-2-4-9(6,7)8;/h1-4H2,(H,6,7,8);/q;+1/p-1
(3) InChIKey: HBHUSBUGXYZABF-REWHXWOFAN

Product Name

sodium 4-bromobutane-1-sulphonate

1-Butanesulfonic acid,4-bromo-, sodium salt (1:1) Specification

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