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609-99-4

609-99-4 Structure

609-99-4 Structure
IdentificationMore
[Name]

3,5-Dinitrosalicylic acid
[CAS]

609-99-4
[Synonyms]

2-HYDROXY-3,5-DINITROBENZOIC ACID
3,5-DINITRO-2-HYDROXYBENZOIC ACID
3,5-DINITRO-2-HYDROXYBENZOIC ACID HYDRATE
3,5-DINITROSALICYCLIC ACID
3,5-DINITROSALICYLIC ACID
3,5-DINITROSALICYLIC ACID HYDRATE
LABOTEST-BB LT00060163
RARECHEM AL BE 0171
2-hydroxy-3,5-dinitro-benzoicaci
3,5-dinitrosalicylic
3,5-dinitro-salicylicaci
Benzoic acid, 2-hydroxy-3,5-dinitro-
Salicylic acid, 3,5-dinitro-
3,5-DinitrosalicyclicAcidGr
3-5,DinitroSalicylicAcidForSynthesis
3-5,DinitroSalicylicAcidForSynthesis-(3-5,Dinitro-2-HydroxybenzoicAcid)
3,5-DinitrosalicylicAcid99%
3,5-DinitrosalicyclicAcidForSynthesis
3-5,DinitroSalicylicAcidGr
3-5, DINTRO SALICYLIC ACID FOR SYNTHESIS
[EINECS(EC#)]

210-204-3
[Molecular Formula]

C7H4N2O7
[MDL Number]

MFCD00149501
[Molecular Weight]

228.12
[MOL File]

609-99-4.mol
Chemical PropertiesBack Directory
[Appearance]

solid
[Melting point ]

168-172 °C (lit.)
[Boiling point ]

369.91°C (rough estimate)
[bulk density]

400kg/m3
[density ]

1.7914 (rough estimate)
[refractive index ]

1.5300 (estimate)
[storage temp. ]

room temp
[solubility ]

H2O: soluble50mg/mL
[form ]

Powder
[pka]

1.57±0.10(Predicted)
[color ]

Yellow
[PH]

1.3-1.8 (20°C, 10g/L in H2O)
[PH Range]

1.3-1.8 (10g/L @ 20°C)
[Stability:]

Stable. Incompatible with strong oxidizing agents, strong bases, strong acids.
[Water Solubility ]

soluble
[BRN ]

2220661
[InChI]

1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)
[InChIKey]

LWFUFLREGJMOIZ-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
[LogP]

0.12 at 23℃ and pH2.6-2.8
[CAS DataBase Reference]

609-99-4(CAS DataBase Reference)
[NIST Chemistry Reference]

3,5-Dinitrosalicylic acid(609-99-4)
[EPA Substance Registry System]

609-99-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H228-H302
[Precautionary statements ]

P210-P240-P241-P264-P270-P301+P312
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

2811
[WGK Germany ]

3
[RTECS ]

VO2965000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29182990
[Storage Class]

4.1A - Other explosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzoic acid, 2-iodo-3,5-dinitro--->3,5-Dinitroanthanilic acid-->Benzoic acid, 2-fluoro-3,5-dinitro--->5-Formylsalicylic acid-->2-Chloro-3,5-dinitrobenzoic acid
[Preparation Products]

3,5-Diaminosalicylic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,5-Dinitrosalicylic acid(609-99-4).msds
Hazard InformationBack Directory
[Chemical Properties]

solid
[Uses]

3,5-Dinitrosalicylic acid was used as a reagent for the preparation of oxazolines from amino alcohols and for the spectrophotometric determination of ampicillin. It was also used to measure the effects of silver nanoparticles on the membrane leakage of the reducing sugars.
[Uses]

3,5-Dinitrosalicylic acid is a salicylic acid derivative used in colorimeteric determination of reducing sugars.
[Uses]

3,5-Dinitrosalicylic acid is used in the quantification of reducing sugars by colorimetry. It is utilized for the analysis of glycosidase (glycoside hydrolase) activity by quantitation of enzymatically released reducing sugar. It is also used to detect reducing substances in urine and for quantifying carbohydrate level in blood. It acts as an important raw material and an intermediate in the production of organic chemicals such as agrochemicals, organic synthesis, pharmaceuticals and dyes.
[Definition]

ChEBI: A monohydroxybenzoic acid consisting of 2-hydroxybenzoic acid having nitro substituents at the 3- and 5-positions. It is used in colorimetric testing for the presence of free carbonyl groups (C2O) in reducing sugars.
[Preparation]

3,5-Dinitrosalicylic acid is prepared by the nitration of salicylic acid. Salicylic acid is added to a mixed acid solution and nitrated at 15–25°C. The reaction mixture is then slowly poured into ice water, yielding a yellow solid precipitate. After filtration and washing with water, the pure product is obtained.
[Biochem/physiol Actions]

3,5-Dinitrosalicylic acid (DNS) is used in colorimetric determination of reducing sugars and to analyze glycosidase (glycoside hydrolase) activity by quantitation of enzymatically released reducing sugar. The dinitrosalicylic acid method has been compared to the Nelson-Somogi colorimetric method.
[Purification Methods]

Crystallise the acid from H2O. [Beilstein 10 IV 270.]
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-Dinitrosalicylic acid(609-99-4)MS
3,5-Dinitrosalicylic acid(609-99-4)1HNMR
3,5-Dinitrosalicylic acid(609-99-4)13CNMR
3,5-Dinitrosalicylic acid(609-99-4)IR1
3,5-Dinitrosalicylic acid(609-99-4)IR2
3,5-Dinitrosalicylic acid(609-99-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5-Dinitrosalicylic acid, 98%(609-99-4)
[Alfa Aesar]

3,5-Dinitrosalicylic acid, 97+%(609-99-4)
[Sigma Aldrich]

609-99-4(sigmaaldrich)
[TCI AMERICA]

3,5-Dinitrosalicylic Acid,>98.0%(GC)(T)(609-99-4)
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