HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

chloramine-T trihydrate

HCID 517414
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
7080-50-4
Standard SMILES
Cc1ccc(S(=O)(=O)[N-]Cl)cc1.O.O.O.[Na+]
InChIKey
NZYOAGBNMCVQIV-UHFFFAOYSA-N
Molecular formula
C7H13ClNNaO5S
Average molar mass
281.69 g/mol
Monoisotopic mass
281.01006548

Names & identifiers

Preferred name
chloramine-T trihydrate
IUPAC
sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate
English name
Chloramine-T trihydrate
Molecular formula
C7H11ClNNaO3S
Molecular weight
247.67

Names & synonyms

Chloramine-T trihydrate7080-50-4Tosylchloramide sodium trihydrateChloraseptinHydroclonazoneChlorazolMinachlorTrichlorolDisifinHalamidDTXSID60407954IU6VSV0EI
Show more names
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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area
46.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
231

Experimental & physicochemical properties

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

Physicochemical properties

Melting point
167 · 167-170 °C(lit.)
Density
1.43 · 1.43
bulk density
540 · 540-680kg/m3
Flash point
92 °C · 92 °C
storage temp.
2 °C · Store at +2°C to +8°C.
solubility
2 O: · H2O: passes test
form
Crystalline Powder
pka
1 · pK1:4.54(+1) (25°C)
color
White to off-white
PH
8 · 8-10 (50g/l, H2O, 20℃)
Odor
Chlorine like
PH Range
8 · 8 - 10
Water Solubility
Soluble in water and ethyl alcohol. Insoluble in benzene and ethers.
Sensitive

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

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.

Hazard information

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%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
2
tsca
Yes
rtecs
XT5616800
ridadr
UN 3263 8/PG 3
hs_code
29350090
Toxicity
LD50 orally in Rabbit: 935 mg/kg
risk_code
22-31-34-42
Signal word
Danger
Symbol(GHS)
GHS05,GHS07,GHS08
hazard_code
C

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 6 items

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).

Uses & manufacturing

Use ClassificationAnimal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Applications · 5 items

DescriptionChloramine-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.

Related reactions

22 records
New reaction record
HRID 342925 reaction equation
HRID 342925As reactantuspto-grants-1999_01
HRID 342926 reaction equation
HRID 342926As reactantuspto-grants-1999_01
HRID 548947 reaction equation
HRID 548947As reactantuspto-grants-2011_05
HRID 548949 reaction equation
HRID 548949As reactantuspto-grants-2011_05
HRID 548952 reaction equation
HRID 548952As reactantuspto-grants-2011_05
HRID 548957 reaction equation
HRID 548957As reactantuspto-grants-2011_05
HRID 565378 reaction equation
HRID 565378As reactantuspto-grants-2001_01
HRID 583598 reaction equation
HRID 583598As reactantuspto-grants-1999_07
Page 1 of 3

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Moisture Sensitive
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 DataBase Reference
7080 · 7080-50-4(CAS DataBase Reference)
FDA UNII
4 IU6VSV0EI · 4IU6VSV0EI
UNSPSC Code
12352111 · 12352111
NACRES
21 · NB.21
Symbol(GHS)
5 · GHS05,GHS07,GHS08
Signal word
Danger
Hazard statements
302 · H302-H314-H334
Precautionary statements
260 · P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE
3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes
C
Risk Statements
22 · 22-31-34-42
Safety Statements
22 · 22-26-36/37/39-45-7
RIDADR
3263 · UN 3263 8/PG 3
WGK Germany
2 · 2
RTECS
5616800 · XT5616800
TSCA
Yes
HazardClass
8 · 8
PackingGroup
III
HS Code
29350090 · 29350090
Storage Class
8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications
4 OralEye · Acute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1B
Toxicity
50 orally · LD50 orally in Rabbit: 935 mg/kg
Limited Quantities
5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
safety_code
22-26-36/37/39-45-7
hazard_class
8
Storage Class
8A - Combustible corrosive hazardous materials
packing_group
III
Hazard statements
H302-H314-H334
Limited Quantities
5.0 kg (11 lbs) (solid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications
Acute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1B
Precautionary statements
P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338

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

UsesDetection of bromate and halogens. Source of halonium ions and nitrogen anions in organic synthesis.

UsesChloramine-T trihydrate is used as an intermediate in the manufacture of chemical substances such as pharmaceuticals. It combines with iodogen or lactoperoxidase and is commonly used for labeling peptides and proteins with radioiodine isotopes. Hypochlorite released from chloramine-T acts as an effective oxidizing agent for iodide to form iodine monochloride (ICl).

General DescriptionChloramine 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.

Upstream & downstream products

Downstream products

2-Methoxypyrimidine-5-boronic acid1,3,4-Oxadiazol-2-amine,5-(1,1-dimethylethyl)-(9CI)

Suppliers102 total

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
南京化学试剂股份有限公司025-58369808 17895012682 · [email protected]
寿光诺盟化工有限公司0536-5399456 13869682027 · [email protected]
斯百全化学(上海)有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
石家庄通洋进出口有限公司[email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]