Sodium 3-nitrobenzenesulfonate (HCID 31389)

概要

The CIR Expert Panel concludes that the data available on Sodium m-Nitrobenzenesulfonate are insufficient to support the safety of this ingredient as used in cosmetic products.

名称と識別子

優先名称: Sodium 3-nitrobenzenesulfonate
IUPAC: sodium 3-nitrobenzenesulfonate
現地名: 3-ニトロベンゼンスルホン酸ナトリウム
英語名: Sodium 3-nitrobenzenesulphonate
分子式: C6H4NNaO5S
分子量: 225.15

名称と別名

127-68-4SODIUM 3-NITROBENZENESULFONATE3-Nitrobenzenesulfonic acid sodium saltSodium m-nitrobenzenesulfonateTiskan [Czech]LudigolNacanLudigol F,60TiskanBenzenesulfonic acid, 3-nitro-, sodium saltDTXSID20270483-Nitrobenzenesulfonic acid, sodium salt

名称をさらに表示

3-ニトロベンゼンスルホン酸ナトリウムm-ニトロベンゼンスルホン酸ナトリウムナトリウムm-ニトロベンゼンスルホナートmニトロベンゼンスルホン酸ナトリウム塩ｍニトロベンゼンスルホン酸ナトリウムm-ニトロベンゼンスルホン酸ナトリウム塩3‐ニトロベンゼンスルホン酸ナトリウムM‐ニトロベンゼンスルホン酸ナトリウム3-ニトロベンゼンスルホン酸ナトリウム塩RESIST SALT3-Nitrobenzenesulfonate3-nitrobenzenesulphonateM-nitrobenzene sodiuM sulphonatesodium 3-nitrobenzene-1-sulfonate

HSDB 5614m-Nitrobenzenesulfonic acid, sodium saltNSC 9795EINECS 204-857-3Nitrobenzen-m-sulfonan sodnyUNII-1F11SXJ4C6Nitrobenzen-m-sulfonan sodny [Czech]m-Nitrobenzenesulfonic acid sodium salt

データベース識別子

CAS: 127-68-4
PubChem CID: 31389
DTXSID: DTXSID2027048
ChEMBL: CHEMBL3188704
UNII: 1F11SXJ4C6
EC Number: 204-857-3

物性

構造計算による物性

極性表面積: 111 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 274

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitrobenzesulfonic Acids

Cosmetics · 2 件

Cosmetic ingredients (Sodium m-Nitrobenzenesulfonate) -> CIR (Cosmetic Ingredient Review)

Viscosity controlling

Melting Point350 °C

Physical Description · 2 件

Other Solid; Dry Powder; Large Crystals; Dry Powder; Large Crystals; Liquid; Other Solid

Solid; [IUCLID] Slightly yellow powder; [MSDSonline]

物理化学的性質

融点: 350 °C · 350 °C
沸点: 217.5 °C · 217.5°C
比重(密度): 0.45 g/cm3 · 0.45 g/cm3 (20 °C)
蒸気圧: 10.3 Pa · 10.3Pa at 25℃
闪点: 100 °C · 100 °C
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 50 mg/mL、透明～やや濁り、微黄色～黄色 · 水：可溶50mg/mL、透明～やや濁り、微黄色～黄色
外見: 結晶性粉末
酸解離定数(Pka): 0 · 0[at 20 ℃]
色: ライトイエロー
PH: 8 · 8 (50g/l, H2O, 23℃)
水溶解度: 200 g/L · 200g/L(20℃)
BRN: 3639982 · 3639982
安定性: 安定。吸湿性。強力な酸化剤とは相容れない。
化粧品成分の機能: 粘度制御
InChI: 1S/C6H5NO5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1
InChIKey: LJRGBERXYNQPJI-UHFFFAOYSA-M
SMILES: [Na+].[O-][N+](=O)c1cccc(c1)S([O-])(=O)=O
LogP: -2.61 at · -2.61 at 25℃
CAS データベース: 127 · 127-68-4(CAS DataBase Reference)
EPAの化学物質情報: 3 · Sodium 3-Nitrobenzenesulfonate (127-68-4)

化学的性質

化学的特性solid

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 7.5% (54 of 724) of reports.

Warning

H317 (92.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]

危険有害性情報

Regulatory Information · 4 件

Chemical: Benzenesulfonic acid, 3-nitro-, sodium salt

Benzenesulfonic acid, 3-nitro-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 3-nitro-, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 09-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15792

3-Nitrobenzenesulphonic acid sodium salt: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause skin sensitization after prolonged contact, based on animal studies; [IUCLID] An eye irritant; May cause skin sensitization; [MSDSonline]

Hazard Classes and Categories · 4 件

Skin Sens. 1 (92.5%)

Eye irritation - category 2

Serious eye damage/eye irritation - Category 2

Eye Irrit. 2

安全と保護具

Protective Action Criteria (PAC) · 3 件

33 [mg/m3]

360 [mg/m3]

2200 [mg/m3]

毒性情報

Toxicity Summary · 2 件

The CIR Expert Panel concludes that the data available on Sodium m-Nitrobenzenesulfonate are insufficient to support the safety of this ingredient as used in cosmetic products.

Ingredients for which the data are insufficient and their use in cosmetics is not supported

Toxicity DataLC50 (rat) > 5,100 mg/m3/4h

安全データ

wgk: 1
tsca: TSCA listed
rtecs: DB7195000
毒性: LD50 orally in Rabbit: > 2000 mg/kg
hs_code: 29049085
risk_code: 36-43
化審法: (3)-2006
hazard_code: Xi
safety_code: 24-26-37
自然発火温度: 355 °C
Hazard Classifications: Eye Irrit. 2Skin Sens. 1
ストレージクラス: 11 - Combustible Solids
有毒物質データの: 127-68-4(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 4 件

CIR ingredient: Sodium m-Nitrobenzenesulfonate

Used as antireduction agent; [HSDB] Used in chemical, electrical/electronics, photographic, and textile processing industries (coloring, electroplating, fixing, oxidizing, and surface-active agent); [IUCLID]

Electroplating [Category: Plate]

ANTIREDUCTION AGENT

U.S. Production2023: 1,000,000 - <2,500,000 lb

Consumer UsesCatalyst

Industry UsesPlating agent

Use ClassificationCosmetics -> Viscosity controlling

General Manufacturing Information · 2 件

Paint and Coating Manufacturing

Benzenesulfonic acid, 3-nitro-, sodium salt (1:1): ACTIVE

応用分野 · 3 件

用途染料中間体,染色助剤,メッキ剥離剤

用途有機合成原料。

使用Sodium 3-nitrobenzenesulfonate is a reagent in the synthesis of azetidinyl ketolides for treatment of susceptible and multidrug resistant community-acquired respiratory tract infections.

上流・下流製品情報

上流原料

発煙硫酸ベンゼン硝酸ニトロベンゼン Activated carbon,decolor 3-ニトロベンゼンスルホン酸水和物硫酸水素炭酸ナトリウム

下流製品

2-アミノアントラキノン 8-クロロキノリン 6-ニトロキノリンキナクリドン N,N-ジエチル-3-アミノフェノール 3-アミノベンゼンスルホン酸エチルバニリン 5-キノリンカルボン酸 5-メチルキノリンキンメラック標準品

サプライヤー50 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]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

3-ニトロベンゼンスルホン酸ナトリウム

基本情報

概要