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Basic information
- CAS
20600-44-6- Standard SMILES
O=c1[nH]c2cc(Cl)ccc2s1- InChIKey
NOVHYVKPKWACML-UHFFFAOYSA-N- Molecular formula
- C7H4ClNOS
- Average molar mass
- 185.63 g/mol
- Monoisotopic mass
- 184.97021243
Names & identifiers
- Preferred name
- 2(3H)-Benzothiazolone, 5-chloro-
- IUPAC
- 5-chloro-3H-1,3-benzothiazol-2-one
- English name
- 5-CHLORO-2-BENZOTHIAZOLINONE
- Molecular formula
- C7H4ClNOS
- Molecular weight
- 185.63
Names & synonyms
2(3H)-Benzothiazolone, 5-chloro-5-Chloro-2(3H)-benzothiazoloneRefChem:4398505-Chloro-2-benzothiazolinone20600-44-65-chlorobenzo[d]thiazol-2(3H)-one5-chloro-3H-1,3-benzothiazol-2-one5-Chloro-1,3-benzothiazol-2(3H)-one2-Benzothiazolol, 5-chloro-MFCD000601255-chloro-2,3-dihydro-1,3-benzothiazol-2-one2-oxo-5-chlorobenzothiazoline
Show more names
5-CHLORO-2-BENZOTHIAChlorobenzothiazolinone5-Chlorobenzothiazol-2-olPhenylephrine Impurity 965-chlorobenzothiazol-2-one5-Chloro-2-benzothiazolinone >5-CHLORO-2-BENZOTHIAZOLINONE 95+%
SCHEMBL507970CHEMBL2381489STR05612CS-W016931EN300-67687715-CHLOROBENZOTHIAZOLONE5-Chloro-2-benzothiazolone5-Chloro-2-ben
Database identifiers
- CAS
20600-44-6- PubChem CID
- 603829
- DTXSID
DTXSID50345337- ChEMBL
CHEMBL2381489- EC Number
- 639-349-4
- Nikkaji
- J24.674C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- 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
Physicochemical properties
- Melting point
- 234 to · 234.0 to 238.0 °C
- Density
- 1.515 · 1.515±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- pka
- 9.57 · 9.57±0.20(Predicted)
- form
- powder to crystal
- color
- White to Light yellow to Green
- CAS DataBase Reference
- 20600 · 20600-44-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36/37/39-24/25
- Hazard Note
- Irritant
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
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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
Regulatory InformationChemical: 2(3H)-Benzothiazolone, 5-chloro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 29349990
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-24/25
- Hazard statements
- H302
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses5-Chloro-2-benzothiazolinone is an active compound. 5-Chloro-2-benzothiazolinone can be used for the research of various biochemical studies[1].
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
10 records
Compound notes
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