Benzaldehyde, 2-methoxy-5-nitro-
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Basic information
- CAS
25016-02-8- Standard SMILES
COc1ccc([N+](=O)[O-])cc1C=O- InChIKey
YWVSKFXYEWMHEO-UHFFFAOYSA-N- Molecular formula
- C8H7NO4
- Average molar mass
- 181.15 g/mol
- Monoisotopic mass
- 181.0375077
Names & identifiers
- Preferred name
- Benzaldehyde, 2-methoxy-5-nitro-
- IUPAC
- 2-methoxy-5-nitrobenzaldehyde
- English name
- 2-METHOXY-5-NITROBENZALDEHYDE
- Molecular formula
- C8H7NO4
- Molecular weight
- 181.15
Names & synonyms
2-Methoxy-5-nitrobenzaldehydeBenzaldehyde, 2-methoxy-5-nitro-DTXSID1067041RefChem:117107DTXCID6037196811-106-925016-02-8MFCD020936835-Nitro-o-anisaldehyde2-methoxy-5-nitro-benzaldehydeA817602SCHEMBL1098465
Show more names
AKOS B0288672-methoxy-5-nitro-benzaldehyd4-(4-morpholinyl)-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1,3,5-triazin-2-amine
SCHEMBL9595423SCHEMBL22471954SCHEMBL31597603ALBB-026229SBB072924STK3978842-Methoxy-5-nitrobenzaldehyde, 97%AKOS000290640
Database identifiers
- CAS
25016-02-8- PubChem CID
- 90685
- DTXSID
DTXSID1067041- EC Number
- 811-106-9
- Nikkaji
- J422.150H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Melting point
- 89 · 89-92 °C (lit.)
- Boiling point
- 336.7 · 336.7±27.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- very soluble in Dimethylformamide
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- InChI
- 1S/C8H7NO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-5H,1H3
- InChIKey
- YWVSKFXYEWMHEO-UHFFFAOYSA-N
- SMILES
- COc1ccc(cc1C=O)[N+]([O-])=O
- CAS DataBase Reference
- 25016 · 25016-02-8
- EPA Substance Registry System
- 2 · Benzaldehyde, 2-methoxy-5-nitro- (25016-02-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
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 2 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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 2-methoxy-5-nitro-: INACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
22 records
Compound notes
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