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Product No: AA0327

4-Nitrobenzaldehyde, 95%

Name: 4-Nitrobenzaldehyde
Brand: Chempure

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CAS Number

555-16-8

Molecular Weight

151.12

Formula

C7H5NO3

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IUPAC name	4-nitrobenzaldehyde
inchi	InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H
inchi key	BXRFQSNOROATLV-UHFFFAOYSA-N
molecular formula	C7H5NO3
synonyms	4-nitrobenzaldehyde 555-16-8 p-Nitrobenzaldehyde Benzaldehyde, 4-nitro- p-Formylnitrobenzene
Compound Description	4-nitrobenzaldehyde is a C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group. It is a C-nitro compound and a member of benzaldehydes.

Computed Properties

Molecular Weight:	151.12 g/mol
XLogP3:	1.6
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:	62.9 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	156
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

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (34.85%) Skin Sens. 1 (80.3%) Eye Irrit. 2A (96.97%) STOT SE 3 (37.88%) Aquatic Chronic 3 (21.21%)
precautionary statement codes	P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (34.85%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (80.3%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (96.97%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (37.88%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H412 (21.21%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
hazards summary	Causes somnolence, cyanosis, normocytic anemia, tetany, and dyspnea in oral lethal-dose studies of rats. An irritant. May cause skin sensitization, based on QSAR modeling. Prolonged or repeated exposure may cause narcosis. See Nitrobenzene and Benzaldehyde. See 3-Nitrobenzaldehyde.

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Documentation

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	4-nitrobenzaldehyde
inchi	InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H
inchi key	BXRFQSNOROATLV-UHFFFAOYSA-N
molecular formula	C7H5NO3
synonyms	4-nitrobenzaldehyde 555-16-8 p-Nitrobenzaldehyde Benzaldehyde, 4-nitro- p-Formylnitrobenzene
Compound Description	4-nitrobenzaldehyde is a C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group. It is a C-nitro compound and a member of benzaldehydes.

Computed Properties

Molecular Weight:	151.12 g/mol
XLogP3:	1.6
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:	62.9 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	156
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

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (34.85%) Skin Sens. 1 (80.3%) Eye Irrit. 2A (96.97%) STOT SE 3 (37.88%) Aquatic Chronic 3 (21.21%)
precautionary statement codes	P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (34.85%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (80.3%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (96.97%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (37.88%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H412 (21.21%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
hazards summary	Causes somnolence, cyanosis, normocytic anemia, tetany, and dyspnea in oral lethal-dose studies of rats. An irritant. May cause skin sensitization, based on QSAR modeling. Prolonged or repeated exposure may cause narcosis. See Nitrobenzene and Benzaldehyde. See 3-Nitrobenzaldehyde.

Product No: AA0327

4-Nitrobenzaldehyde, 95%

Product No: AA0327

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA0327

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?