Basic information
- CAS
121-81-3- Standard SMILES
NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
UUKWKUSGGZNXGA-UHFFFAOYSA-N- Molecular formula
- C7H5N3O5
- Average molar mass
- 211.13 g/mol
- Monoisotopic mass
- 211.02292027
Overview
antibacterial agent for prevention & treatment of Salmonella pullorum infections in chickens & turkeys & for fowl typhoid & paratyphoid; used in feed; structure
Names & identifiers
- Preferred name
- 3,5-Dinitrobenzamide
- IUPAC
- 3,5-dinitrobenzamide
- English name
- 3,5-Dinitrobenzamide
- Molecular formula
- C7H5N3O5
- Molecular weight
- 211.13
Names & synonyms
3,5-Dinitrobenzamidenitromide121-81-3TristatBenzamide, 3,5-dinitro-DTXSID00458369DUJ3CMK8SNSC-60719NSC60719DTXCID8025836RefChem:166110204-499-8
Show more names
NITROMID5-DinitrobenzamideC15588500 Nitromide3,5-dinitro-benzamidcomponent of Unistat
UnistatNitromide [USAN]component of Unistat-3component of TristatNitroamideMFCD00007985Nitromide (USAN)NCGC00094736-01
Database identifiers
- CAS
121-81-3- PubChem CID
- 4511
- DTXSID
DTXSID0045836- ChEMBL
CHEMBL1437065- UNII
- 9DUJ3CMK8S
- EC Number
- 204-499-8
- Nikkaji
- J5.345G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Animal Feed Additives
LogP0.81
Human DrugsPharmaceuticals
Vapor Pressure0.00000016 [mmHg]
Physical DescriptionSolid; [Merck Index] Cream powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 183 · 183-185 °C (lit.)
- Boiling point
- 350.8 °C · 350.8°C (rough estimate)
- Density
- 1.6444 · 1.6444 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 2.2 mg/mL · DMSO : ≥ 2.2 mg/mL (10.42 mM)
- pka
- 13.73 · 13.73±0.50(Predicted)
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, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazards SummaryMay cause irritation; Toxic by ingestion; [Alfa Aesar MSDS] See Dinitrotoluene, all isomers.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- CV4752300
- hs_code
- 29242990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312a-P330-P501a
Chemistry & industry
Uses & manufacturing
Uses
Used as a veterinary antibacterial and coccidiostat for poultry; [Merck Index] Used in poultry feeds; [ChemIDplus]
Farming (Feed Additives) [Category: Industry]
Use ClassificationPharmaceuticals
Applications
Usesantibacterial, coccidiostat
Uses3,5-Dinitrobenzamide is used in method for continuously preparing Amides from Carboxylic Acids by Amidation.
Suppliers100 total
格林斯柏生物科技（江苏）有限公司0523-87726088 13705266400 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
12 records
Compound notes
Loading…