Hexane-1-sulfonic acid

HCID 49937CAS 13595-73-8

基本情報

標準SMILES: CCCCCCS(=O)(=O)O
InChIKey: FYAQQULBLMNGAH-UHFFFAOYSA-N
分子式: C6H14O3S
平均分子量: 166.24 g/mol
単同位体質量: 166.06636531

概要

1-hexanesulfonic acid is an alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is hexyl. It has a role as a chromatographic reagent.

名称と識別子

優先名称: Hexane-1-sulfonic acid
IUPAC: hexane-1-sulfonic acid

名称と別名

Hexane-1-sulfonic AcidRefChem:786326975-377-6hexanesulfonic acid13595-73-8hexane-1-sulphonic acid1-HEXANESULFONICACIDSCHEMBL22200SCHEMBL147580SCHEMBL266229SCHEMBL296297SCHEMBL1180494

名称をさらに表示

SCHEMBL4273617SCHEMBL4279355SCHEMBL9683215CHEMBL1208318DTXSID20275556CHEBI:231577MFCD00066395AKOS006230662

データベース識別子

CAS: 13595-73-8
PubChem CID: 49937
DTXSID: DTXSID20275556
ChEMBL: CHEMBL1208318
ChEBI: CHEBI:231577
EC Number: 975-377-6
Nikkaji: J323.650A

物性

構造計算による物性

XLogP: 1.4
極性表面積: 62.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 10
形式電荷: 0
複雑度: 154

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (100%)