Basic information
- CAS
29770-14-7- Standard SMILES
Cc1ccc(S(=O)(=O)[O-])cc1.Cc1sc2cc([N+](=O)[O-])ccc2[n+]1C- InChIKey
QHVZYSIEYHLOJN-UHFFFAOYSA-M- Molecular formula
- C16H16N2O5S2
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.05006396
Names & identifiers
- Preferred name
- Benzothiazolium, 2,3-dimethyl-6-nitro-, 4-methylbenzenesulfonate (1:1)
- IUPAC
- 2,3-dimethyl-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate
- English name
- 2,3-dimethyl-6-nitrobenzothiazolium p-toluenesulphonate
- Molecular formula
- C16H16N2O5S2
- Molecular weight
- 380.43864
Names & synonyms
29770-14-7Benzothiazolium, 2,3-dimethyl-6-nitro-, salt with 4-methylbenzenesulfonic acid (1:1)EINECS 249-834-9Benzothiazolium, 2,3-dimethyl-6-nitro-, p-toluenesulfonateDTXSID5067508Benzothiazolium, 2,3-dimethyl-6-nitro-, 4-methylbenzenesulfonate (1:1)RefChem:118569DTXCID8038065SCHEMBL65176622,3-Dimethyl-6-nitrobenzothiazolium p-toluenesulphonateQHVZYSIEYHLOJN-UHFFFAOYSA-MAKOS024429235
Show more names
2,3-dimethyl-6-nitro-1,3-benzothiazol-3-ium,4-methylbenzenesulfonate
NS000511412,3-Dimethyl-6-nitro-1,3-benzothiazol-3-ium 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
29770-14-7- PubChem CID
- 169082
- DTXSID
DTXSID5067508
Properties
Computed structural properties
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzothiazolium, 2,3-dimethyl-6-nitro-, salt with 4-methylbenzenesulfonic acid (1:1) (29770-14-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazolium, 2,3-dimethyl-6-nitro-, 4-methylbenzenesulfonate (1:1): INACTIVE
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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