2-nitrobenzaldehyde

2-nitrobenzaldehyde
Compound Structure:
Synonyms: o-Nitrobenzaldehyde;Benzaldehyde, 2-nitro-;Nitrobenzaldehyde;Benzaldehyde, o-nitro-;2-Nitro-benzaldehyde;nitro benzaldehyde;NSC-5713;2-FORMYLNITROBENZENE;ortho-nitrobenzaldehyde
Compound ID: NMPC-272
PubChem ID:

11101

Molecular Formula: C7H5NO3
Canonical SMILES: C1=CC=C(C(=C1)C=O)[N+](=O)[O-]
InChIKey: CMWKITSNTDAEDT-UHFFFAOYSA-N
About the compound:

2-nitrobenzaldehyde is an organic compound that consists of a benzaldehyde with a nitro group (NO2) substituted at the ortho-position to the formyl (CHO) group. It is classified as a C-nitro compound and belongs to the group of benzaldehydes. This compound was historically used as an intermediate in the synthesis of the dye indigo.

GHS Hazard Statements

H302 (97.12%): Harmful if swallowed [Warning Acute toxicity, oral]

H315 (99.04%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (99.04%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

H412 (38.46%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]


Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

151.12 g/mol

XLogP3

1.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

1

Exact Mass

151.026943022 g/mol

Monoisotopic Mass

151.026943022 g/mol

Topological Polar Surface Area

62.9Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

164

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Partially soluble in water (2.32 g/L at 25 deg C); [ChemIDplus] Yellow crystalline powder; [MSDSonline]

Source: PubChem

Source Species: Uvaria chamae
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