Basic information
- CAS
22633-33-6- Standard SMILES
COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O- InChIKey
UMELTKSLWXJXNZ-UHFFFAOYSA-N- Molecular formula
- C8H6N2O7
- Average molar mass
- 242.14 g/mol
- Monoisotopic mass
- 242.01750053
Names & identifiers
- Preferred name
- Methyl 3,5-dinitrosalicylate
- IUPAC
- methyl 2-hydroxy-3,5-dinitrobenzoate
- English name
- Methyl 3,5-dinitrosalicylate
- Molecular formula
- C8H6N2O7
- Molecular weight
- 242.14
Names & synonyms
Methyl 3,5-dinitrosalicylate22633-33-6methyl 2-hydroxy-3,5-dinitrobenzoateBenzoic acid, 2-hydroxy-3,5-dinitro-, methyl esterRQ5L227PAHNSC 203306EINECS 245-144-7NSC-203306DTXSID6066816Salicylic acid, 3,5-dinitro-, methyl esterRefChem:157408DTXCID3036733
Show more names
3,5-DNSA-MERARECHEM AL BF 01713,5-DINITROMETHYLSALICYLATEMETHYL 3,5-DINITRO-2-HYDROXYBENZOATE3,5-dinitrosalicyclic acid methy ester
245-144-7InChI=1/C8H6N2O7/c1-17-8(12)5-2-4(9(13)14)3-6(7(5)11)10(15)16/h2-3,11H,1HMFCD000175613,5-Dinitrosalicyclicacidmethyester3,5-Dinitrosalicylic acid, methyl ester3,5-Dinitro salicylic acid methyl ester3,5-Dinitro Salicylic Acid Methyl Ester; NSC 2033063, methyl ester
Database identifiers
- CAS
22633-33-6- PubChem CID
- 89779
- DTXSID
DTXSID6066816- UNII
- RQ5L227PAH
- EC Number
- 245-144-7
- Nikkaji
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Melting point
- 125 · 125-127
- Boiling point
- 347.7 · 347.7±42.0 °C(Predicted)
- Density
- 1.62 · 1.620±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform, DMSO, Methanol
- form
- Solid
- pka
- 3.81 · 3.81±0.44(Predicted)
- color
- Off-white to Pale Yellow
- CAS DataBase Reference
- 22633 · 22633-33-6(CAS DataBase Reference)
- FDA UNII
- 5 L227PAH · RQ5L227PAH
- EPA Substance Registry System
- 2 · Benzoic acid, 2-hydroxy-3,5-dinitro-, methyl ester (22633-33-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2918199890
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-hydroxy-3,5-dinitro-, methyl ester: INACTIVE
Applications
UsesDerivative of Salicylic acid.
Upstream & downstream products
Downstream products
Suppliers30 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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