CAS 7080-50-4 chloramine-T trihydrate (HCID 517414)

名称と識別子

優先名称: chloramine-T trihydrate
IUPAC: sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate
現地名: クロラミンT三水和物
英語名: Chloramine-T trihydrate
分子式: C7H11ClNNaO3S
分子量: 247.67

名称と別名

Chloramine-T trihydrate7080-50-4Tosylchloramide sodium trihydrateChloraseptinHydroclonazoneChlorazolMinachlorTrichlorolDisifinHalamidDTXSID60407954IU6VSV0EI

名称をさらに表示

クロラミンT三水和物P-トルエンスルホンクロロアミドナトリウム三水和物p-トルエンスルホンクロラミドナトリウム三水和物P‐トルエンスルホンクロロアミドナトリウム三水和物クロラミンT,3水和物 P-トルエンスルホンクロロアミドナトリウム,3水和物クロラミンT,3水和物P-トルエンスルホンクロラミドナトリウム,3水和物P-トルエンスルホンクロロアミドナトリウム(3水和物)クロラミン TクロラミンT (N-CHLORO-P-TOLUENESULFONAMIDE) SODIUM SALT TRIHYDRATEクロラミンT 三水和物N-クロロ-4-メチルベンゼンスルホンアミド・ナトリウム・3水和物トシルクロラミドナトリウム三水和物Chloramine TrihydrateChloroamine t trihydrateSODIUM P-TOLUENESULFONCHLORAMIDE TRIHYDRATEoramine TCHLOROAMINUMChloramineTGrChloramineTGr99%amide trihydrateACS， 98.0-103.0%

N-Chloro-p-toluenesulfonamide, monosodium salt, trihydrateSodium derivative of N-chloro-p-toluenesulfonamide trihydrateDTXCID4020795Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, hydrate (1:1:3)HALAMID AQUARefChem:54771Chloramine T trihydrateMFCD00149066

データベース識別子

CAS: 7080-50-4
PubChem CID: 517414
DTXSID: DTXSID6040795
ChEMBL: CHEMBL1591636
UNII: 4IU6VSV0EI
EC Number: 615-172-8

物性

構造計算による物性

極性表面積: 46.5 Å²
水素結合供与体数: 3
水素結合受容体数: 6
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 231

実験および物理化学的性質

Animal DrugsActive Ingredients (Chloramine-T trihydrate) -> FDA Greenbook

物理化学的性質

融点: 167 · 167-170 °C(lit.)
比重(密度): 1.43 · 1.43
闪点: 92 °C · 92 °C
貯蔵温度: 2 °C · Store at +2°C to +8°C.
溶解性: 2 O: · H2O: テストに合格
外見: 結晶性粉末
酸解離定数(Pka): 1 · pK1:4.54(+1) (25°C)
色: ホワイトからオフホワイト
PH: 8 · 8-10 (50g/l, H2O, 20℃)
臭い (Odor): 塩素系
水溶解度: 水およびエチルアルコールに可溶。ベンゼンおよびエーテルに不溶。
Merck: 14 · 14,2075
BRN: 3924168 · 3924168
InChI: 1S/C7H7ClNO2S.Na.3H2O/c1-6-2-4-7(5-3-6)12(10,11)9-8;;;;/h2-5H,1H3;;3*1H2/q-1;+1;;;
InChIKey: NZYOAGBNMCVQIV-UHFFFAOYSA-N
SMILES: O.O.O.Cc1ccc(cc1)S(=O)(=O)N([Na])Cl
LogP: 2.111 · 2.111 (est)
CAS データベース: 7080 · 7080-50-4(CAS DataBase Reference)

化学的性質 · 1 件

化学的特性Chloramine T is a white to yellow crystalline powder with characteristic odor. It is an air sensitive and corrosive, cause eye and skin burns and chemical dangers: Chloramine T is known to explode on heating above 130°C (anhydrous). Chloramine T decomposes slowly under the influence of air producing chlorine (trihydrate). On heating or on contact with acids it decomposes and produce toxic gases.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.5% (1 of 222) of reports.

Danger

H302 (99.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P342+P316, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 222 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChloramine-T, trihydrate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (99.5%)

安全データ

wgk: 2
tsca: Yes
rtecs: XT5616800
ridadr: UN 3263 8/PG 3
毒性: LD50 orally in Rabbit: 935 mg/kg
hs_code: 29350090
risk_code: 22-31-34-42
化審法: (3)-2178, (3)-3132
hazard_code: C
safety_code: 22-26-36/37/39-45-7
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

薬理情報

MeSH Pharmacological Classification · 6 件

Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.

Substances that reduce or suppress INFLAMMATION.

Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed)

Compounds that prevent the release of inflammatory mediators from MAST CELLS.

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

Electron-accepting molecules in chemical reactions in which electrons are transferred from one molecule to another (OXIDATION-REDUCTION).

用途と製造

Use ClassificationAnimal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients

応用分野 · 4 件

用途塩素標準液調製用、塩素発生剤。

説明Chloramine-T is commercially available in the form of a trihydrate and is a stable white to pale yellow solid. Chloramine T Sodium Salt Trihydrate is a reagent for selective oxidation of methionine. It is used as an antibacterial agent; a topical antiseptic. Capable of oxidative cyclization to produce various heterocycles. Nitrene source for aziridinations and aminohydroxylations. Reactant for Preparation of factor Xa inhibitors as novel anticoagulants.

使用Chloramine-T trihydrate can be used for detection of bromate and halogens.

一般的な説明Chloramine T (CAT) trihydrate is a commonly used reagent for organic synthesis especially in heterocyclic chemistry. CAT is an active chlorine compound that shows antimicrobial activity.

調製方法 · 1 件

純化方法Recrystallise it from hot water (2mL/g). Dry it in a desiccator over CaCl2 where it loses water. Protect it from sunlight. It is used for the detection of bromate and halogens, and Co, Cr, Fe, Hg, Mn, Ni and Sb ions. [Campbell & Johnson Chem Rev 78 65 1978, Bremner Synthetic Reagents 6 9 1985, Chattaway J Chem Soc 87 145 I1905, Inglis J Soc Chem Ind (Lond) 37 288 1918, Beilstein 11 H 107, 11 I 29, 11 II 62, 11 III 300, 2 IV 457.]