Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1)

HCID 466102CAS 24057-28-1
部分構造検索類似構造を探す

基本情報

標準SMILES
Cc1ccc(S(=O)(=O)[O-])cc1.c1cc[nH+]cc1
InChIKey
ZDYVRSLAEXCVBX-UHFFFAOYSA-N
分子式
C7H8O3S.C5H5N
平均分子量
251.3 g/mol

名称と識別子

優先名称
Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1)
IUPAC
4-methylbenzenesulfonate;pyridin-1-ium

名称と別名

Pyridinium p-toluenesulfonatePyridine ptoluenesulfonateRefChem:118015Pyridinium toluene4sulphonateDTXCID3036995Pyridine, 4methylbenzenesulfonatepToluenesulfonic acid pyridine saltpToluenesulfonic acid, pyridine adductBenzenesulfonic acid, 4methyl, compd. with pyridine (1:1)24057-28-1DTXSID5066952EINECS 246-002-7
名称をさらに表示
Pyridine, 4-methylbenzenesulfonatePyridin-1-ium 4-methylbenzenesulfonatePPTSPyridinium 4-toluenesulfonatePyridinium toluene-4-sulphonatepyridinium tosylatep-Toluenesulfonic acid pyridine saltpyridinium p-toluene sulphonate

データベース識別子

CAS
24057-28-1
PubChem CID
466102
EC Number
246-002-7

物性

構造計算による物性

極性表面積
79.7 Ų
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
0
重原子数
17

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Pyridines
Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 1.1% (1 of 95) of reports.

Warning

H315 (62.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 95 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Pyridine, 4-methylbenzenesulfonate

Status: Active Update: 16-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26654

Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1): Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See p-Toluenesulfonic acid. See Pyridine.
Hazard Classes and CategoriesSkin Irrit. 2 (62.1%)

化学と産業

用途と製造

General Manufacturing InformationBenzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1): ACTIVE

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