5-Bromo-3-methyl-4-nitro-1,2-thiazole
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Basic information
- CAS
35610-98-1- Standard SMILES
Cc1nsc(Br)c1[N+](=O)[O-]- InChIKey
LISJYXUDWOEKBJ-UHFFFAOYSA-N- Molecular formula
- C4H3BrN2O2S
- Average molar mass
- 223.05 g/mol
- Monoisotopic mass
- 221.90986044
Names & identifiers
- Preferred name
- 5-Bromo-3-methyl-4-nitro-1,2-thiazole
- IUPAC
- 5-bromo-3-methyl-4-nitro-1,2-thiazole
- English name
- 5-BroMo-3-Methyl-4-nitroisothiazole
- Molecular formula
- C4H3BrN2O2S
- Molecular weight
- 223.05
Names & synonyms
35610-98-15-bromo-3-methyl-4-nitro-1,2-thiazoleDTXSID80297971RefChem:301813DTXCID902491085-bromo-3-methyl-4-nitro-isothiazole5-Bromo-3-methyl-4-nitroisothiazoleMFCD22421787NSC119862SCHEMBL7776279LISJYXUDWOEKBJ-UHFFFAOYSA-NAKOS023400782
Show more names
Isothiazole, 5-bromo-3-methyl-4-nitro-
AS-5727NSC-119862DB-368503CS-0282972EN300-112845F317688
Database identifiers
- CAS
35610-98-1- PubChem CID
- 274091
- DTXSID
DTXSID80297971
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 77 · 77-78 °C
- Boiling point
- 152.5 · 152.5±40.0 °C(Predicted)
- Density
- 1.915 · 1.915±0.06 g/cm3(Predicted)
- pka
- 0.84 · 0.84±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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