Basic information
- CAS
23505-64-8- Standard SMILES
O=[N+]([O-])c1nc2ccccc2s1- InChIKey
NSYKYZBOQLCIHR-UHFFFAOYSA-N- Molecular formula
- C7H4N2O2S
- Average molar mass
- 180.19 g/mol
- Monoisotopic mass
- 179.99934855
Names & identifiers
- Preferred name
- 2-Nitro-1,3-benzothiazole
- IUPAC
- 2-nitro-1,3-benzothiazole
- English name
- Benzothiazole, 2-nitro- (8CI,9CI)
- Molecular formula
- C7H4N2O2S
- Molecular weight
- 180.18
Names & synonyms
2-nitro-1,3-benzothiazoleRefChem:477135862-626-8benzothiazole, 2-nitro-23505-64-8nitrobenzothiazole2-Nitrobenzo[d]thiazoleBenzothiazole, 2-nitro- (8CI,9CI)SCHEMBL2246310DTXSID60348793NSYKYZBOQLCIHR-UHFFFAOYSA-NDB-285900
Show more names
EN300-7818992AK-249/36686013InChI=1/C7H4N2O2S/c10-9(11)7-8-5-3-1-2-4-6(5)12-7/h1-4
Database identifiers
- CAS
23505-64-8- PubChem CID
- 640709
- DTXSID
DTXSID60348793- EC Number
- 862-626-8
- Nikkaji
- J437.007D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Boiling point
- 352.7 · 352.7±25.0 °C(Predicted)
- Density
- 1.525 · 1.525±0.06 g/cm3(Predicted)
- pka
- -2.8 · -2.80±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H332-H315-H319-H312
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H332-H315-H319-H312
- Precautionary statements
- P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
1 records
Compound notes
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