ChemicalBook--->CAS DataBase List--->153813-69-5

153813-69-5

153813-69-5 Structure

153813-69-5 Structure
IdentificationBack Directory
[Name]

METHYL 4-FORMYL-3-NITROBENZOATE 97
[CAS]

153813-69-5
[Synonyms]

METHYL 4-FORMYL-3-NITROBENZOATE 97
Methyl 4-forMyl-3-nitrobenzoate 97%
4-Methoxycarbonyl-2-nitrobenzaldehyde
Benzoic acid, 4-formyl-3-nitro-, methyl ester
4-FORMYL-3-NITROMETHYLBENZOATE4-FORMYL-3-NITROBENZOIC ACID METHYL ESTER
[Molecular Formula]

C9H7NO5
[MDL Number]

MFCD04039968
[MOL File]

153813-69-5.mol
[Molecular Weight]

209.156
Chemical PropertiesBack Directory
[Melting point ]

62-66 °C(lit.)
[Boiling point ]

380.0±32.0 °C(Predicted)
[density ]

1.386±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[color ]

White to Orange to Green
[InChI]

InChI=1S/C9H7NO5/c1-15-9(12)6-2-3-7(5-11)8(4-6)10(13)14/h2-5H,1H3
[InChIKey]

WGOOPYYIMZJWMA-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=CC=C(C=O)C([N+]([O-])=O)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[WGK Germany ]

3
[HS Code ]

2918300090
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 4-FORMYL-3-NITROBENZOATE 97(153813-69-5)1HNMR
METHYL 4-FORMYL-3-NITROBENZOATE 97(153813-69-5)IR
Hazard InformationBack Directory
[References]

[1] Tetrahedron Letters, 1994, vol. 35, # 2, p. 219 - 222
[2] Patent: WO2006/117548, 2006, A1. Location in patent: Page/Page column 49-50
[3] Patent: WO2006/117549, 2006, A1. Location in patent: Page/Page column 42; 43
[4] Patent: US6344/449, 2002, B1. Location in patent: Example A4b)
[5] Patent: US6344449, 2002, B1. Location in patent: Example A4b)
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