Benzamide, N-2-benzothiazolyl-4-nitro-
Basic information
- CAS
35353-21-0- Standard SMILES
O=C(Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1- InChIKey
GOKOILBJPWVKQU-UHFFFAOYSA-N- Molecular formula
- C14H9N3O3S
- Average molar mass
- 299.31 g/mol
- Monoisotopic mass
- 299.03646233
Names & identifiers
- Preferred name
- Benzamide, N-2-benzothiazolyl-4-nitro-
- IUPAC
- N-(1,3-benzothiazol-2-yl)-4-nitrobenzamide
- English name
- SALOR-INT L449318-1EA
- Molecular formula
- C14H9N3O3S
- Molecular weight
- 299.3
Names & synonyms
35353-21-0N-(1,3-benzothiazol-2-yl)-4-nitrobenzamideBenzamide, N-2-benzothiazolyl-4-nitro-BRN 0556225N-2-Benzothiazolyl-4-nitrobenzamideDTXSID70188844RefChem:561587DTXCID30111335644-898-8n-(benzo[d]thiazol-2-yl)-4-nitrobenzamideSALOR-INT L449318-1EACHEMBL4641864
Show more names
Oprea1_181766Oprea1_524403SCHEMBL4919533GOKOILBJPWVKQU-UHFFFAOYSA-NBDBM50541112STK056481STL147918AKOS002952626
Database identifiers
- CAS
35353-21-0- PubChem CID
- 215271
- DTXSID
DTXSID70188844- ChEMBL
CHEMBL4641864- EC Number
- 644-898-8
- Nikkaji
- J2.549.672H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · 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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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