Basic information
- CAS
2786-43-8- Standard SMILES
Cn1c(=[Se])sc2ccccc21- InChIKey
VBKDUIRAXCKPOA-UHFFFAOYSA-N- Molecular formula
- C8H7NSSe
- Average molar mass
- 228.19 g/mol
- Monoisotopic mass
- 228.94644
Names & identifiers
- Preferred name
- 3-methylbenzothiazole-2(3H)-selone
- IUPAC
- 3-methyl-1,3-benzothiazole-2-selone
- English name
- 3-methylbenzothiazole-2(3H)-selone
- Molecular formula
- C8H7NSSe
- Molecular weight
- 228.17
Names & synonyms
3-Methylbenzothiazole-2(3H)-selone2786-43-8EINECS 220-506-72(3H)-Benzothiazoleselone, 3-methyl-RefChem:504146220-506-73-Methyl-2-selenoxobenzothiazole3-methyl-1,3-benzothiazole-2-seloneN-methylbenzothiazole-2-seloneSCHEMBL3744765DTXSID80950534N-methylbenzothiazole-2(3 H)selone
Show more names
3-methylbenzothiazole-2-seloneN-methyl-1,3-benzothiazole-2(3H)-selone3-Methyl-2,3-dihydrobenzothiazole-2-selone
3-Methyl-1,3-benzothiazole-2(3H)-seloneNS000829093-Methyl-1,3-benzothiazole-2(3H)-selone #
Database identifiers
- CAS
2786-43-8- PubChem CID
- 76030
- DTXSID
DTXSID80950534- EC Number
- 220-506-7
- Nikkaji
- J306.735A
Properties
Computed structural properties
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 108 · 108-110 °C(Solv: ethanol (64-17-5))
- Boiling point
- 328.4 · 328.4±25.0 °C(Predicted)
- Symbol(GHS)
- 8 · GHS08,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 410 · H410-H331-H373-H301
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501-P260-P314-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
- Hazard Codes
- T,N
- Risk Statements
- 23 · 23/25-33-50/53
- Safety Statements
- 20 · 20/21-28-45-60-61
- RIDADR
- 3282 · 3282
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P319, P321, P330, P391, 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
Regulatory Information3-Methylbenzothiazole-2(3H)-selone: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- ridadr
- 3282
- risk_code
- 23/25-33-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09,GHS06
- hazard_code
- T,N
- safety_code
- 20/21-28-45-60-61
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H410-H331-H373-H301
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501-P260-P314-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
Chemistry & industry
Suppliers4 total
HONEST JOY HOLDINGS LIMITED[email protected]
凯方医药科技有限公司—
CHEMICAL LAND21[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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