3316-09-4

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3316-09-4 Structure

Identification	More
[Name] 4-NITROCATECHOL
[CAS] 3316-09-4
[Synonyms] 1,2-DIHYDROXY-4-NITROBENZENE 3,4-DIHYDROXYNITROBENZENE 4-NITROCATECHOL 4-NITROPYROCATECHOL NITROCATECHOL 1,2-Benzenediol, 4-nitro- 4-Nitro-1,2-benzenediol 4-NITROCATECHOL SIGMA GRADE 4-NITRO CATECHOL GR 4-nitrobenzene-1,2-diol 3,4-DIHYDROXYNITROBENZENE/4-NITROCATECHOL 4-NITROPYROCATECHOL 97+% 4-NITROCATECHOL 98+% 1,2-Dihydroxy-4-nitrobenzene, 4-Nitropyrocatechol 2-Hydroxy-4-nitrophenol 4-Nitropyrocatechin
[EINECS(EC#)] 222-009-0
[Molecular Formula] C6H5NO4
[MDL Number] MFCD00007242
[Molecular Weight] 155.11
[MOL File] 3316-09-4.mol

Chemical Properties	Back Directory
[Appearance] yellow to mustard-colored crystalline powder
[Melting point ] 173-177 °C (lit.)
[Boiling point ] 278.88°C (rough estimate)
[density ] 1.5553 (rough estimate)
[refractive index ] 1.5423 (estimate)
[storage temp. ] Inert atmosphere,Room Temperature
[solubility ] Solubility Very slightly soluble in water; soluble in ethanol
[form ] Crystalline Powder
[pka] 6.84(at 25℃)
[color ] Yellow to mustard
[PH Range] Straw (3.9) to lemon yellow (6.3)
[Water Solubility ] Soluble in water.
[λmax] 385nm, 510nm
[BRN ] 1867508
[Stability:] Hygroscopic
[Major Application] Semiconductors, magnetic recording materials, nonlinear optical materials, photography, determination of lysosomal enzyme disorders, antimicrobial agent, anti-cancer agent
[InChI] 1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H
[InChIKey] XJNPNXSISMKQEX-UHFFFAOYSA-N
[SMILES] Oc1ccc(cc1O)[N+]([O-])=O
[CAS DataBase Reference] 3316-09-4(CAS DataBase Reference)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302+H312+H332-H315-H319-H302-H335
[Precautionary statements ] P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280h-P305+P351+P338
[Hazard Codes ] Xi
[Risk Statements ] R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ] S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ] 2811
[WGK Germany ] 3
[HazardClass ] 6.1(b)
[PackingGroup ] III
[HS Code ] 29062900
[Storage Class] 11 - Combustible Solids

Raw materials And Preparation Products	Back Directory
[Raw materials] Sodium hydroxide-->Hydrochloric acid-->Diethyl ether-->Nitric acid-->Nitrobenzene-->1,3-Benzodioxole-->Aluminum Bromide-->3,5-Cyclohexadiene-1,2-dione, 4-nitro--->2-Methoxy-5-nitrophenol-->2-Hydroxy-4-nitro-benzaldehyde-->2-Methoxy-4-nitrophenol-->1,2-(Methylenedioxy)-4-nitrobenzene-->Methanol-->4-Nitrophenol
[Preparation Products] 4-Aminophenol-->3,4-(Methylenedioxy)phenyl isocyanate-->3,4-Dihydro-2H-1,5-benzodioxepin-7-amine-->4-Aminocatechol-->3-Nitrocatechol

Hazard Information	Back Directory
[Chemical Properties] yellow to mustard-colored crystalline powder
[Uses] Spectrophotometric standard
[Definition] ChEBI: A member of the class of catechols that is benzene-1,2-diol substituted by a nitro group at position 4.It is the by-product of the hydroxylation of p-nitrophenol.
[Synthesis Reference(s)] Tetrahedron Letters, 33, p. 865, 1992 DOI: 10.1016/S0040-4039(00)91561-2
[IC 50] Human Endogenous Metabolite; Microbial Metabolite

Spectrum Detail	Back Directory
[Spectrum Detail] 4-NITROCATECHOL(3316-09-4)MS 4-NITROCATECHOL(3316-09-4)¹HNMR 4-NITROCATECHOL(3316-09-4)¹³CNMR 4-NITROCATECHOL(3316-09-4)IR1 4-NITROCATECHOL(3316-09-4)IR2 4-NITROCATECHOL(3316-09-4)Raman

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] 4-Nitrocatechol, 97%(3316-09-4)
[Alfa Aesar] 4-Nitrocatechol, 98+%(3316-09-4)
[Sigma Aldrich] 3316-09-4(sigmaaldrich)
[TCI AMERICA] 4-Nitrocatechol,>98.0%(T)(3316-09-4)

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