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127-65-1

Basic Information
CAS No.: 127-65-1
Name: Benzenesulfonamide,N-chloro-4-methyl-, sodium salt (1:1)
Article Data: 9
Cas Database
Molecular Structure:
Molecular Structure of 127-65-1 (Benzenesulfonamide,N-chloro-4-methyl-, sodium salt (1:1))
Formula: C7H7ClNNaO2S
Molecular Weight: 229.663
Synonyms: Benzenesulfonamide,N-chloro-4-methyl-, sodium salt (9CI);p-Toluenesulfonamide, N-chloro-, sodiumsalt (8CI);Acti-chlore;Aktiven;Aktivin;Aseptoclean;Berkendyl;Chloralone;Chlorasan;Chloraseptine;Chlorazan;Chlorazene hydrosol;Chlorazone;Chlorozone;Cloramine T;Clorina;Desinfect;Euclorina;Gyneclorina;Halamid;Kloramin;Kloramine-T;Mannolite;Mianine;Multichlor;N-Chloro-4-methylbenzenesulfonamide sodium salt;N-Chloro-p-toluenesulfonamide sodium salt;N-Chlorotoluenesulfonamidesodium salt;SodiumN-chloro-p-toluenesulfonamide;Sodiump-toluenesulfochloramide;Sodium p-toluenesulfonchloramide;Sodium tosylchloramide;Tampules;Tochlorine;Tolamine;Tosylchloramide sodium;Chloramine T;Chloramine-T;
EINECS: 204-854-7
Density: 1.36g/cm3
Melting Point: 167-170 °C(lit.)
Boiling Point: 314.3 °C at 760 mmHg
Flash Point: 143.9 °C
Solubility: >100 mg/mL in water
Appearance: white or yellow powder with a chlorine-like odour
Hazard Symbols: HarmfulXn,CorrosiveC
Risk Codes: 22-31-34-42
Safety: 22-26-36/37/39-45-7-1/2
Transport Information: UN 3263 8/PG 3
PSA: 42.52000
LogP: 3.29200
Synthetic route
70-55-3

toluene-4-sulfonamide

127-65-1

chloroamine-T

Conditions
ConditionsYield
With trichloroisocyanuric acid; sodium hydroxide at 20℃; for 1h;93%
Stage #1: toluene-4-sulfonamide With trichloroisocyanuric acid In methanol at 20℃; for 1h;
Stage #2: With sodium hydroxide In methanol at 0 - 20℃; for 0.5h;
92%
With sodium hydroxide; chlorine at 70℃; for 1h;
With sodium hydroxide; chlorine In water at 70℃; for 1h;
473-34-7

N,N-dichloro-p-toluenesulfonamide

70-55-3

toluene-4-sulfonamide

127-65-1

chloroamine-T

Conditions
ConditionsYield
With indigo carmine; NaOAc-HOAc buffer; sodium perchlorate In water at 39.9℃; Equilibrium constant; var. pH (buffer);
70-55-3

toluene-4-sulfonamide

N.N-dichloro-toluenesulfonamide-(4)

N.N-dichloro-toluenesulfonamide-(4)

127-65-1

chloroamine-T

Conditions
ConditionsYield
With sodium hydroxide; water

anti-2'-adamantylidene-9-benzonorbornenylidene sulfide

127-65-1

chloroamine-T

C28H31NO2S2

Conditions
ConditionsYield
In dichloromethane; acetonitrile at -18℃; for 6h;100%
1112-67-0

tetrabutyl-ammonium chloride

127-65-1

chloroamine-T

tetrabutylammonium N-chloro-p-toluenesulfonamide

Conditions
ConditionsYield
In water at 5℃; for 5h;99%
701-57-5

1-methylthio-4-nitro-benzene

127-65-1

chloroamine-T

15436-27-8

S-methyl-S-(4-nitrophenyl)-N-p-tosylsulfilimine

Conditions
ConditionsYield
In acetonitrile at 20℃; for 16h;99%
In acetonitrile at 20℃; for 4h;22%
352-93-2

diethyl sulphide

127-65-1

chloroamine-T

13553-69-0

S,S-Diethyl-N-p-tolylsulfonylsulfilimin

Conditions
ConditionsYield
In acetonitrile at 20℃;99%
127-65-1

chloroamine-T

66-77-3

1-naphthaldehyde

81589-31-3

N-(p-toluenesulfonyl)-1-naphthanamide

Conditions
ConditionsYield
With pyridine; copper(l) chloride In acetonitrile at 20℃; for 18h; Inert atmosphere; Molecular sieve;99%
127-65-1

chloroamine-T

123-11-5

4-methoxy-benzaldehyde

58734-14-8

4-methoxy-N-tosylbenzamide

Conditions
ConditionsYield
With pyridine; copper(l) chloride In acetonitrile at 20℃; for 18h; Inert atmosphere; Molecular sieve;99%
5153-67-3

nitrostyrene

127-65-1

chloroamine-T

4-methyl-N-(2-nitro-1-phenylethyl)benzenesulfonamide

Conditions
ConditionsYield
With water; iodine In diethyl ether at 20℃; for 1h; regioselective reaction;99%
Raw Materials
473-34-7
70-55-3
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Specification

The IUPAC name of this chemical is sodium chloro-(4-methylphenyl)sulfonylazanide. With the CAS registry number 127-65-1, it is also named as Chloramine-T. The classification codes are anti-infective agents; anti-infective agents, local; disinfectants; indicators and reagents; mutation data; noxae; oxidants. It is white or yellow powder with a chlorine-like odour. And it is soluble in water, insoluble in benzene, chloroform and ether. Additionally, Sodium N-chloro-4-toluene sulfonamide is stable and incompatible with strong oxidizing agents. It may decompose violently if heated above 130 °C. Besides, people should keep this product in the cool and dry aera.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Flash Point: 143.9 °C; (7)Enthalpy of Vaporization: 55.54 kJ/mol; (8)Boiling Point: 314.3 °C at 760 mmHg; (9)Vapour Pressure: 0.000472 mmHg at 25°C; (10)Rotatable Bond Count: 1; (11)Exact Mass: 226.978372; (12)MonoIsotopic Mass: 226.978372; (13)Topological Polar Surface Area: 43.5; (14)Heavy Atom Count: 13; (15)Complexity: 231.

Preparation of Sodium N-chloro-4-toluene sulfonamide: It is a by-product in the production of saccharin. It can be obtained by amination, salifing and chlorination of paratoluensulfonylchloride.

Uses of Sodium N-chloro-4-toluene sulfonamide: It is used for washing wounds, mucous membrane disinfection, drinking water disinfection and sterilization of medical devices, etc. It is also used in the preparation for sterilization agent, and the determination and indicator of sulfonamides.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and may cause sensitization by inhalation, so people should not breathe dust. When contact with acids, it liberates toxic gas. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Keep locked up and out of the reach of children. 

People can use the following data to convert to the molecule structure.
1. SMILES:[Na+].O=S(=O)([N-]Cl)c1ccc(cc1)C
2. InChI:InChI=1/C7H7ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1
3. InChIKey:VDQQXEISLMTGAB-UHFFFAOYAP

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo parenteral 200mg/kg (200mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Journal of Pharmacology and Experimental Therapeutics. Vol. 14, Pg. 259, 1920.
guinea pig LDLo subcutaneous 900mg/kg (900mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE WEAKNESS
Journal of Pharmacology and Experimental Therapeutics. Vol. 14, Pg. 259, 1920.
mouse LDLo parenteral 300mg/kg (300mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Journal of Pharmacology and Experimental Therapeutics. Vol. 14, Pg. 259, 1920.
rabbit LDLo intravenous 25mg/kg (25mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Pharmacology and Experimental Therapeutics. Vol. 14, Pg. 259, 1920.