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Halazone

HCID 3552
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
80-13-7
Standard SMILES
O=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1
InChIKey
XPDVQPODLRGWPL-UHFFFAOYSA-N
Molecular formula
C7H5Cl2NO4S
Average molar mass
270.09 g/mol
Monoisotopic mass
268.9316342

Overview

Halazone is a fine white powder with an odor of chlorine. (NTP, 1992)

Names & identifiers

Preferred name
Halazone
IUPAC
4-(dichlorosulfamoyl)benzoic acid
English name
Halazone
Molecular formula
C7H5Cl2NO4S
Molecular weight
270.09

Names & synonyms

halazone80-13-7HalazonPantocide4-(Dichlorosulfamoyl)benzoic AcidCloritinesPantosidPantotsidPentocidZeptabsHalazonoHalazonum
Show more names
GynamideHalozonensc60717PANTOCID
p-(Dichlorosulfamoyl)benzoic acidp-Sulfondichloramidobenzoic acidp-CarboxybenzenesulfondichloroamideParasulfondichloramido benzoic acidp-(N,N-Dichlorosulfamyl)benzoic acidp-(N,N-Dichlorosulfamoyl)benzoic acidDTXSID9025370Benzoic acid, p-(dichlorosulfamoyl)-

Database identifiers

CAS
80-13-7
PubChem CID
3552
DTXSID
DTXSID9025370
ChEMBL
CHEMBL1368146
UNII
G359OL82VB
EC Number
201-253-1
Nikkaji
J4.442C

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
83.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
329

Experimental & physicochemical properties

Chemical ClassesOther Uses -> Biocides/Disinfectants
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Melting Point415 °F (NTP, 1992)
Physical Description · 2 items

Halazone is a fine white powder with an odor of chlorine. (NTP, 1992)

Solid with an odor of chlorine; [Merck Index]

Physicochemical properties

Melting point
195 °C · 195°C (rough estimate)
Boiling point
437 · 437.0±47.0 °C(Predicted)
Density
1.5426 · 1.5426 (rough estimate)
refractive index
1.6 · 1.6000 (estimate)
storage temp.
-20 °C,unstable · Store at -20°C,unstable in solution, ready to use.
solubility
Soluble in DMSO
form
Solid

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 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

DOT LabelOxidizer
Fire HazardsFlash point data for this chemical are not available, but it is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 140 [Oxidizers]:
Hazards Summary · 1 item

Causes chronic pulmonary edema in intravenous lethal-dose studies of rats; Causes altered gastric secretion and pigmented or nucleated red blood cells in 5-week intermittent oral studies of rabbits; [RTECS] May cause irritation; [Sigma-Aldrich MSDS]

Reactive GroupAcids, Carboxylic
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety & protection

Chemistry & industry

Uses & manufacturing

Uses · 3 items

A mixture of mono- and dichloroamides used as a water disinfectant; [Merck Index]

No active product registrations in the US; [NPIRS]

Using Disinfectants or Biocides [Category: Clean]

General Manufacturing InformationBenzoic acid, 4-[(dichloroamino)sulfonyl]-: INACTIVE
Applications · 4 items

Usesantiinfectant

UsesWater disinfectant.

General Descriptionp-Dichlorosulfamoylbenzoic acid is a white, crystalline,photosensitive compound with a faint chlorine odor.Halazone is only slightly soluble in water at pH 7 but becomesvery soluble in alkaline solutions. The sodium salt ofhalazone is used to disinfect drinking water.

General DescriptionFine white powder with an odor of chlorine.

Upstream & downstream products

Upstream raw materials

Sodium sulfamoyl benzoateCarzenideSodium hypochlorite

Suppliers68 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
HubeiwidelychemicaltechnologyCo.,Ltd

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
pka
3.29 · 3.29±0.10(Predicted)
color
White to off-white
Merck
14 · 14,4590
Stability
Stable, but may be light sensitive. Incompatible with strong oxidizing agents.
InChI
1S/C7H5Cl2NO4S/c8-10(9)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)
InChIKey
XPDVQPODLRGWPL-UHFFFAOYSA-N
SMILES
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cl)Cl
CAS DataBase Reference
80 · 80-13-7(CAS DataBase Reference)
FDA UNII
359 OL82VB · G359OL82VB
NIST Chemistry Reference
Benzoic acid, p-(dichlorosulfamoyl)-,(80-13-7)
EPA Substance Registry System
Halazone (80-13-7)
UNSPSC Code
41116107 · 41116107
NACRES
24 · NA.24
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319
Precautionary statements
264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
RIDADR
1479 · 1479
WGK Germany
3 · 3
RTECS
8050000 · DG8050000
TSCA
TSCA listed
HazardClass
5.1 · 5.1
PackingGroup
III
Storage Class
13 · 13 - Non Combustible Solids
Fire FightingFires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 140 [Oxidizers]:
Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Safety data

wgk
3
tsca
TSCA listed
rtecs
DG8050000
ridadr
1479
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
5.1
Storage Class
13 - Non Combustible Solids
packing_group
III
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
18627774460 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
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Aladdin Scientific[email protected]
湖北辰心化工有限公司18696113233 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
United Life Science020-82099279 18988941402 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected];[email protected];[email protected]
斯百全化学(上海)有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [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]
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]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
启源(广东)医药化工有限公司18026564465 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
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山东西亚化学有限公司4009903999 13395398332 · [email protected]
湖北威德利化学科技有限公司027-83991130 18627774460 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
爱必信(上海)生物科技有限公司13761418683 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
巴师傅(上海)生物医药科技有限公司60662071 18117346937 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
陕西衡瀚新材料有限公司15719109892 · [email protected]