3,5-Dinitrosalicylaldehyde

HCID 75571
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Basic information

CAS
2460-59-5
Standard SMILES
O=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIKey
FLJXIBHYDIMYRS-UHFFFAOYSA-N
Molecular formula
C7H4N2O6
Average molar mass
212.12 g/mol
Monoisotopic mass
212.00693585

Names & identifiers

Preferred name
3,5-Dinitrosalicylaldehyde
IUPAC
2-hydroxy-3,5-dinitrobenzaldehyde
English name
3,5-DINITROSALICYLALDEHYDE
Molecular formula
C7H4N2O6
Molecular weight
212.12

Names & synonyms

3,5-Dinitrosalicylaldehyde2460-59-5Benzaldehyde, 2-hydroxy-3,5-dinitro-VXZ9XBT2TWDTXSID4062434RefChem:561332DTXCID0037106219-551-52-Hydroxy-3,5-dinitrobenzaldehyde3,5-Dinitro-2-hydroxybenzaldehydeMFCD000071032-Hydroxy-3,5-dinitro-benzaldehyde
Show more names
3,5-Dinitrosalicylaldehyde 97%2-formyl-4,6-dinitrobenzen-1-olate2-HYDROXY-3,5-DINITROBENZALDEHYDE 95%BENZENE DERIVATIVE(3,5- DINITROSALICYLALDEHYDE )
EINECS 219-551-535-DinitrosalicylaldehydeSCHEMBL831073SCHEMBL27330165SCHEMBL294418093,5-Dinitrosalicylaldehyde, 97%ALBB-025884BBL023192

Database identifiers

CAS
2460-59-5
PubChem CID
75571
DTXSID
DTXSID4062434
UNII
VXZ9XBT2TW
EC Number
219-551-5
Nikkaji
J216.099D

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
129 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
15

Physicochemical properties

Melting point
68 · 68-70 °C(lit.)
Boiling point
301.5 · 301.5±42.0 °C(Predicted)
Density
1.721 · 1.721±0.06 g/cm3(Predicted)
pka
2.06 · 2.06±0.44(Predicted)
Water Solubility
0.6 g/100 · Soluble in water, 0.6 g/100 mL (18°C).
Sensitive
Air Sensitive

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
ridadr
2811
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzaldehyde, 2-hydroxy-3,5-dinitro-: INACTIVE
Applications · 1 item

UsesIt is used to produce 3-(2-hydroxy-3,5-dinitro-phenyl)-propenal with acetaldehyde. 3,5-Dinitrosalicylaldehyde has been used in the preparation of salicyldimine ligand via Schiff base condensation with allyl-substituted aniline, 3-hydroxycoumarins2, chromogenic proteinase substrates and ruthenium(II) chiral Schiff base complexes.

Upstream & downstream products

Suppliers28 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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