Basic information
- CAS
17586-89-9- Standard SMILES
O=[N+]([O-])c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1- InChIKey
RCPUUVXIUIWMEE-UHFFFAOYSA-N- Molecular formula
- C13H7N3O4S2
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 332.98779806
Names & identifiers
- Preferred name
- Benzothiazole, 2-[(2,4-dinitrophenyl)thio]-
- IUPAC
- 2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazole
- English name
- 2-[(2,4-Dinitrophenyl)thio]-benzothiazole
- Molecular formula
- C13H7N3O4S2
- Molecular weight
- 333.34
Names & synonyms
2-(2,4-Dinitrophenylthio)benzothiazole17586-89-9EINECS 224-183-3Benzothiazole, 2-((2,4-dinitrophenyl)thio)-Benzothiazole, 2-[(2,4-dinitrophenyl)thio]-DTXSID0063369RefChem:566277DTXCID6040088678-399-14230-91-52-[(2,4-Dinitrophenyl)thio]-benzothiazole2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazole
Show more names
DBM(DIBENZOYL METHANE)2-[(2,4-dinitrophenyl)thio]-1,3-benzothiazole
2-[(2,4-Dinitrophenyl)sulfanyl]-1,3-benzothiazoleMFCD000597042-((2,4-Dinitrophenyl)thio)benzo[d]thiazoleBenzothiazol-2-yl 2,4-dinitrophenyl sulphideC13H7N3O4S22-(2,4-Dinitrophenylthio)-benzothiazole2-(2,4-Dinitrophenylmercapto)benzothiazoleCBDivE_012930
Database identifiers
- CAS
17586-89-9、4230-91-5- PubChem CID
- 77908
- DTXSID
DTXSID0063369- EC Number
- 224-183-3、678-399-1
- Nikkaji
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 442
Physicochemical properties
- Melting point
- 157 · 157-159 °C
- Boiling point
- 531.7 · 531.7±60.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- -0.87 · -0.87±0.10(Predicted)
- EPA Substance Registry System
- 2 · Benzothiazole, 2-[(2,4-dinitrophenyl)thio]- (4230-91-5)
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Warning
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzothiazole, 2-[(2,4-dinitrophenyl)thio]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesFlam. Sol. 2 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazole, 2-[(2,4-dinitrophenyl)thio]-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers19 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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