ベンゼンスルホン酸 ナトリウム

Sodium benzenesulfonate

HCID 517327
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
515-42-4
標準SMILES
O=S(=O)([O-])c1ccccc1.[Na+]
InChIKey
MZSDGDXXBZSFTG-UHFFFAOYSA-M
分子式
C6H5NaO3S
平均分子量
180.16 g/mol
単同位体質量
179.9857093

概要

See also: Benzenesulfonic acid, alkyl derivs., sodium salts (annotation moved to); Sodium N-alkylbenzenesulfonate (annotation moved to).

名称と識別子

優先名称
Sodium benzenesulfonate
IUPAC
sodium benzenesulfonate
現地名
ベンゼンスルホン酸 ナトリウム
英語名
Benzenesulfonic acid sodium salt
分子式
C6H7NaO3S
分子量
182.17

名称と別名

Sodium benzenesulfonate515-42-4Benzenesulfonic acid, sodium saltDispersant GNSodium phenylsulfonateSodium benzene sulfonateSodium benzene monosulfonateSODIUM BENZOSULFONATEK5RM14AZHXSUPRAGIL GNBenzenesulfonic acid, sodium salt (1:1)DTXSID4060157
名称をさらに表示
ベンゼンスルホン酸 ナトリウムナトリウムベンゾスルホナートベンゼンスルホン酸ナトリウムナトリウムベンゼンスルホナートベンゼンスルホン酸ナトリウム塩ベンゼンスルホン酸ナトリウムn水和物ナトリウム＝ベンゼンスルホナートPhSO2NaBenzenesulfonicsodiumbenzosulfonatesodiumbenzenemonosulfatePhSO3NaBenzenesuLdispersantgnSodium sulfobenzenesodiumphenylsulfonate
NSC-146RefChem:887291DTXCID9041027208-198-2Benzenesulfonic acid sodium saltsodium;benzenesulfonateBenzenesulfonate (sodium)C6H5NaO3S

データベース識別子

CAS
515-42-4
PubChem CID
517327
DTXSID
DTXSID4060157
UNII
K5RM14AZHX
EC Number
208-198-2
Nikkaji
J6.295B

物性

構造計算による物性

極性表面積
65.6 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
1
重原子数
11

実験および物理化学的性質

Chemical ClassesOther Classes -> Benzenesulfonic Acid Derivatives
Color/Form · 2 件

CRYSTALS

NEEDLES OR LEAFLETS FROM WATER

SolubilityVERY SOL IN HOT WATER; SLIGHTLY SOL IN HOT ALCOHOL
Physical DescriptionSolid; [HSDB] White powder; [MSDSonline]
Other Experimental PropertiesDECOMP AT 450 °C

物理化学的性質

融点
450 °C · 450 °C
比重(密度)
1.124 g/mL · 1.124 g/mL at 25 °C (lit.)
貯蔵温度
Inert atmosphere,Room Temperature
溶解性
水溶性
外見
結晶性粉末
色
ホワイトからオフホワイト

化学的性質

化学的特性off-white crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 96 reports by companies from 6 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: Benzenesulfonic acid, sodium salt

Status: Active Update: 05-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16461

Benzenesulfonic acid, sodium salt: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryOral LD50 (mouse) = 9378 mg/kg; [RTECS] A skin irritant in guinea pig testing; No teratogenic effects in pregnant mice receiving doses up to the fatal dose of 300 mg/kg; [HSDB]
Hazard Classes and CategoriesAcute Tox. 4 (25%)

毒性情報

Non-Human Toxicity Excerpts · 5 件

ACUTE EXPOSURE PRODUCED ONLY SLIGHT IRRITATION TO GUINEA PIG SKIN. /FROM TABLE/

NA ALKYLBENZENESULFONATE ADMIN IN DRINKING WATER (0.07, 0.2 & 0.6%) OR IN FEED (0.6 & 1.8%) TO MICE & RATS FOR 9 MO DECR LIVER WT, HEPATIC LEVELS OF GLUCOSE 6-PHOSPHATE DEHYDROGENASE, LACTATE DEHYDROGENASE & GLUTAMIC-PYRUVIC TRANSAMINASE.

SODIUM ALKYLBENZENESULFONATE ADMIN IN DRINKING WATER (0.07, 0.2 & 0.6%) OR IN FEED (0.6 & 1.8%) TO MICE & RATS FOR 9 MONTHS DECREASED KIDNEY LEVELS OF GLUCOSE 6-PHOSPHATASE & SODIUM, POTASSIUM ATPASE, INDICATING AN EFFECT ON KIDNEY FUNCTION.

SODIUM ALKYLBENZENESULFONATE ADMIN AT 1000 PPM IN WATER TO RATS FOR 6 WK ENHANCED THE INCREASE OF LIPIDS IN LIVER & DECREASED LEVELS OF CHOLESTEROL & PHOSPHOLIPIDS IN RED BLOOD CELLS.

For more Non-Human Toxicity Excerpts (Complete) data for SODIUM BENZOSULFONATE (9 total), please visit the HSDB record page.

安全データ

wgk
3
tsca
TSCA listed
rtecs
DB7350000
hs_code
29049090
risk_code
22-36/37/38
化審法
(3)-1928

化学と産業

薬理情報

Metabolism/MetabolitesP TESTOSTERONI H-8 UTILIZES AS SOLE CARBON SOURCE, THE SODIUM SALTS OF BENZENESULFONATE. MEDIUM MUST BE HEAVILY BUFFERED TO PERMIT EXTENSIVE GROWTH.
Absorption, Distribution and Excretion · 2 件

ABSORBED SULFONATES ARE QUICKLY DISTRIBUTED THROUGH LIVING SYSTEMS, BUT ALSO READILY EXCRETED. ...SULFONATES WILL BIND TO PROTEINS & APPEAR TO TRANSLOCATE K+ /POTASSIUM IONS/ & NO3- /NITRATE IONS/ FROM CELLULAR TO INTERSTITIAL FLUID AS OCCURS...WITH SODIUM...BENZENESULFONATE.

EXCRETED AS SODIUM BENZENESULFONATE. /FROM TABLE/

用途と製造

Uses · 4 件

Used as chemical intermediate, detergent, disinfectant, and anionic surfactant; [HSDB]

Using Disinfectants or Biocides [Category: Clean]

CHEM INT & DETERGENT

DISINFECTANT & ANIONIC SURFACTANT

General Manufacturing Information · 2 件

Benzenesulfonic acid, sodium salt (1:1): ACTIVE

METHOD WAS DEVELOPED FOR REMOVING PHENOL & THIOPHENOL FROM WASTE GASES GIVEN OFF DURING MELTING OF SODIUM BENZENESULFONATE.

応用分野 · 1 件

使用Sodium benzenesulfonate has been used in Raman spectroscopic determination of molecular structural features in sulfonated polystyrene resins. It was used as electrolyte in formation of polypyrrole coatings with varying surface morphology on stainless steel. It was used in the synthesis of 1-butyl-3-propanenitrile imidazolium benzenesulfonate.

調製方法

合成方法温水溶液中、ベンゼンスルホン酸を水酸化ナトリウムで中和し、その後冷却すると、プロトンがナトリウムイオンに置き換わったこの物質のの結晶が析出する。

純化方法Crystallise it from EtOH or aqueous 70-100% MeOH, and dry it under a vacuum at 80-100o. [Beilstein 11 H 28, 11 I 10, 11 II 18, 11 III 33, 11 IV 27.]

上流・下流製品情報

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
阜阳瑞丹新材料科技有限公司13861916552 18112233091

関連反応

15 件
反応記録を作成

化合物ノート

読み込み中…