Basic information
- CAS
42952-29-4- Standard SMILES
CC[n+]1c(C)sc2ccc3ccccc3c21.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
KTTNCJKZKIRUTI-UHFFFAOYSA-M- Molecular formula
- C21H21NO3S2
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.09628588
Names & identifiers
- Preferred name
- Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)
- IUPAC
- 1-ethyl-2-methylbenzo[e][1,3]benzothiazol-1-ium;4-methylbenzenesulfonate
- English name
- 1-Ethyl-2-methylnaphtho[1,2-d]thiazolium p-toluenesulfonate
- Molecular formula
- C21H21NO3S2
- Molecular weight
- 399.53
Names & synonyms
42952-29-4EINECS 256-017-0DTXSID308858821-Ethyl-2-methylnaphtho(1,2-d)thiazolium 4-methylbenzene sulfonateNaphtho(1,2-d)thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)Naphtho(1,2-d)thiazolium, 1-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)RefChem:164689DTXCID1010252401-Ethyl-2-methylnaphtho(1,2-d)thiazolium toluene-p-sulphonateSCHEMBL4120155
Show more names
1-Ethyl-2-methylnaphtho[1,2-d]thiazolium p-toluenesulfonate1-ethyl-2-methylnaphtho[1,2-d]thiazolium toluene-p-sulphonate1-ETHYL-2-METHYLNAPHTHO(1,2-D)THIAZOLIUM P-TOLUENESULFONATE 95%1-Ethyl-2-methylnaphtho[1,2-d]thiazolium p-toluenesulfonate,95%1-ETHYL-2-METHYL-NAPHTHO(1,2-D)THIAZOL-1-IUM, TOLUENE-4-SULFONATE2-d]thiazolium,1-ethyl-2-methyl-naphtho[saltwith4-methylbenzenesulfonic
Properties
Computed structural properties
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Melting point
- 148 °C · 148 °C
- Density
- 1.2127 · 1.2127 (rough estimate)
- refractive index
- 1.506 · 1.5060 (estimate)
- EPA Substance Registry System
- 1 · Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1) (42952-29-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25
- 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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNaphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1): ACTIVE
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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