methyl 2,4-diamino-3-fluoro-5-nitrobenzoate

Basic Information

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CAS Number

918321-18-3

Molecular Formula

C8H8FN3O4

Molecular Weight

229.17 g/mol

Basic Physical Properties

Boiling Point

470.5±45.0°C at 760 mmHg

SMILES

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COC(=O)C1=CC(=C(C(=C1N)F)N)[N+](=O)[O-]

InChI

InChI=1S/C8H8FN3O4/c1-16-8(13)3-2-4(12(14)15)7(11)5(9)6(3)10/h2H,10-11H2,1H3

InChIKey

RBALXPMHIYPOBI-UHFFFAOYSA-N

LogP

2.37050

Complexity

296

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

DTXSID70731657
DS-12395
AKOS027339824
AMY39477
AC-30136
CS-0150905
F12538
918321-18-3
SY037110
RBALXPMHIYPOBI-UHFFFAOYSA-N
Benzoic acid, 2,4-diamino-3-fluoro-5-nitro-, methyl ester
Methyl2,4-diamino-3-fluoro-5-nitrobenzoate
A900847
MFCD29920456
Methyl 2,4-diamino-3-fluoro-5-nitrobenzoate
C8H8FN3O4
SCHEMBL2522874
methyl 2,4-diamino-3-fluoro-5- nitrobenzoate
methyl 2,4-diamino-3-fluoro-5-nitrobenzoate

MDL Number

MFCD29920456

FAQ

What is methyl 2,4-diamino-3-fluoro-5-nitrobenzoate (CAS: 918321-18-3)?

Methyl 2,4-diamino-3-fluoro-5-nitrobenzoate (CAS: 918321-18-3) is a organic compound with the molecular formula C8H7FN2O4. It is characterized by its aromatic ring structure with a fluoro and nitro group, along with two amino groups and a methyl substituent.

What are the main uses of methyl 2,4-diamino-3-fluoro-5-nitrobenzoate (CAS: 918321-18-3)?

Methyl 2,4-diamino-3-fluoro-5-nitrobenzoate (CAS: 918321-18-3) is primarily used in pharmaceuticals as an intermediate in the synthesis of other compounds and in research for its reactivity and unique structural features. It can also be utilized in the chemical industry for its specific functional groups.

Is methyl 2,4-diamino-3-fluoro-5-nitrobenzoate (CAS: 918321-18-3) safe?

Methyl 2,4-diamino-3-fluoro-5-nitrobenzoate (CAS: 918321-18-3) is generally safe under controlled conditions, but proper handling and protective measures are essential. It is important to avoid contact with eyes, skin, and inhalation. Adequate ventilation and personal protective equipment (PPE) should be used during handling.

How should methyl 2,4-diamino-3-fluoro-5-nitrobenzoate (CAS: 918321-18-3) be stored?

Methyl 2,4-diamino-3-fluoro-5-nitrobenzoate (CAS: 918321-18-3) should be stored in a well-ventilated, cool, and dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and contamination. Storage at temperatures below 25°C is recommended to ensure stability and safety.