ChemicalBook--->CAS DataBase List--->2702-58-1

2702-58-1

2702-58-1 Structure

2702-58-1 Structure
IdentificationMore
[Name]

Methyl 3,5-dinitrobenzoate
[CAS]

2702-58-1
[Synonyms]

3,5-DINITROBENZOIC ACID METHYL ESTER
METHYL 3,5-DINITROBENZOATE
Benzoic acid, 3,5-dinitro-, methyl ester
[EINECS(EC#)]

220-289-9
[Molecular Formula]

C8H6N2O6
[MDL Number]

MFCD00017016
[Molecular Weight]

226.14
[MOL File]

2702-58-1.mol
Chemical PropertiesBack Directory
[Appearance]

pale yellow crystalline powder
[Melting point ]

107-109 °C (lit.)
[Boiling point ]

367.74°C (rough estimate)
[density ]

1.6136 (rough estimate)
[refractive index ]

1.6000 (estimate)
[storage temp. ]

Store at room temperature
[form ]

powder
[BRN ]

1252593
[InChI]

1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3
[InChIKey]

POGCCFLNFPIIGW-UHFFFAOYSA-N
[SMILES]

COC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
[CAS DataBase Reference]

2702-58-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Methyl 3,5-dinitrobenzoate(2702-58-1)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Safety Statements ]

24/25
[WGK Germany ]

3
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

pale yellow crystalline powder
[Uses]

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
pharmaceutical
[Synthesis Reference(s)]

Synthetic Communications, 12, p. 1139, 1982 DOI: 10.1080/00397918208065981
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 3,5-dinitrobenzoate(2702-58-1)1HNMR
Methyl 3,5-dinitrobenzoate(2702-58-1)IR1
Methyl 3,5-dinitrobenzoate(2702-58-1)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Methyl 3,5-dinitrobenzoate, 98%(2702-58-1)
[Sigma Aldrich]

2702-58-1(sigmaaldrich)
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