Basic information
- CAS
4337-43-3- Standard SMILES
O=c1[nH]sc2ccc(Cl)cc12- InChIKey
IYFOEVOXKZUQPJ-UHFFFAOYSA-N- Molecular formula
- C7H4ClNOS
- Average molar mass
- 185.63 g/mol
- Monoisotopic mass
- 184.9702126
Names & identifiers
- Preferred name
- 5-Chloro-1,2-benzisothiazolin-3-one
- IUPAC
- 5-chloro-1,2-benzothiazol-3-one
- English name
- 5-Chloro-1,2-benzisothiazol-3(2H)-one
- Molecular formula
- C7H4ClNOS
- Molecular weight
- 185.63
Names & synonyms
5-Chloro-1,2-benzisothiazol-3(2H)-one5-Chloro-1,2-benzisothiazolin-3-oneEINECS 224-385-15-Chloro-1,2-benzisothiazoloneUNII-EI9I6I0I4X1,2-Benzisothiazol-3(2H)-one, 5-chloro-1,2-Benzisothiazolin-3-one, 5-chloro-EI9I6I0I4X5-CHLOROBENZISOTHIAZOLONE5-CHLOROBENZOISOTHIAZOLINE-3-ONEDTXSID90195833RefChem:102260
Show more names
5-chloro-2-benzisothiazolin-3-one5-Chloro-1,2-benzisothiazol-3(2H)-one,5-Chlorobenzisothiazolone
DTXCID301183244337-43-35-chloro-1,2-benzothiazol-3-one5-Chlorobenzo[d]isothiazol-3(2H)-one5-Chlorobenzo[d]isothiazol-3-ol5-chloro-2,3-dihydro-1,2-benzothiazol-3-oneMFCD01659015AKOS006275900
Database identifiers
- CAS
4337-43-3- PubChem CID
- 78040
- DTXSID
DTXSID90195833- UNII
- EI9I6I0I4X
- EC Number
- 224-385-1
- Nikkaji
- J205.718B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 187
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physicochemical properties
- Melting point
- 265 · 265-266°C
- Density
- 1.515 · 1.515±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO, Methanol (Slightly, Heated, Sonicated)
- pka
- 9.54 · 9.54±0.20(Predicted)
- form
- Solid
- color
- Off-White to Light Brown
- InChI
- 1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)7(10)9-11-6/h1-3H,(H,9,10)
- InChIKey
- IYFOEVOXKZUQPJ-UHFFFAOYSA-N
- SMILES
- Clc1ccc2SNC(=O)c2c1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 I6I0I4X · EI9I6I0I4X
- UNSPSC Code
- 12352200 · 12352200
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
This chemical does not meet GHS hazard criteria for 97.4% (37 of 38) of all reports.
Not Classified
Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- WGK 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
Uses5-Chloro-1,2-benzisothiazol-3(2H)-one (cas# 4337-43-3) is a compound useful in organic synthesis.
Suppliers22 total
西安瑞成医药科技有限责任公司18220540598; 18291828687 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
长沙博诺新材料科技有限公司18191076804 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
Aladdin Scientific
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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