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Product No: AA6439

3-Nitrobenzyl alcohol, 99%

Name: 3-Nitrobenzyl alcohol
Brand: Chempure

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CAS Number

619-25-0

Molecular Weight

153.14

Formula

O2NC6H4CH2OH

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IUPAC name	(3-nitrophenyl)methanol
canonical smiles	C1=CC(=CC(=C1)[N+](=O)[O-])CO
inchi	InChI=1S/C7H7NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2
inchi key	CWNPOQFCIIFQDM-UHFFFAOYSA-N
molecular formula	C7H7NO3
synonyms	3-Nitrobenzyl alcohol 619-25-0 (3-Nitrophenyl)methanol m-Nitrobenzyl alcohol Benzenemethanol, 3-nitro-
Compound Description	3-nitrobenzyl alcohol is a C-nitro compound.

Computed Properties

Molecular Weight:	153.14 g/mol
XLogP3:	1.2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	153.042593085 g/mol
Monoisotopic Mass:	153.042593085 g/mol
Topological Polar Surface Area:	66 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	143
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

Related Compounds

4-Nitrophenol

Pentachloronitrobenzene

Nitrobenzene

3-Nitrotoluene

2-Nitrotoluene

1-Chloro-2-nitrobenzene

1,3-Dinitrobenzene

4-Nitrotoluene

2,6-Dinitrotoluene

3-Methyl-4-nitrophenol

2-Methyl-5-nitroaniline

2-Nitroanisole

4-Nitrobenzaldehyde

1-Chloro-3-nitrobenzene

2-Nitrophenol

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (16.67%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (16.67%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (83.33%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (83.33%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (16.67%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (83.33%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	May cause irritation.

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*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	(3-nitrophenyl)methanol
canonical smiles	C1=CC(=CC(=C1)[N+](=O)[O-])CO
inchi	InChI=1S/C7H7NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2
inchi key	CWNPOQFCIIFQDM-UHFFFAOYSA-N
molecular formula	C7H7NO3
synonyms	3-Nitrobenzyl alcohol 619-25-0 (3-Nitrophenyl)methanol m-Nitrobenzyl alcohol Benzenemethanol, 3-nitro-
Compound Description	3-nitrobenzyl alcohol is a C-nitro compound.

Computed Properties

Molecular Weight:	153.14 g/mol
XLogP3:	1.2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	153.042593085 g/mol
Monoisotopic Mass:	153.042593085 g/mol
Topological Polar Surface Area:	66 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	143
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

Related Compounds

4-Nitrophenol

Pentachloronitrobenzene

Nitrobenzene

3-Nitrotoluene

2-Nitrotoluene

1-Chloro-2-nitrobenzene

1,3-Dinitrobenzene

4-Nitrotoluene

2,6-Dinitrotoluene

3-Methyl-4-nitrophenol

2-Methyl-5-nitroaniline

2-Nitroanisole

4-Nitrobenzaldehyde

1-Chloro-3-nitrobenzene

2-Nitrophenol

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (16.67%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (16.67%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (83.33%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (83.33%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (16.67%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (83.33%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	May cause irritation.

Product No: AA6439

3-Nitrobenzyl alcohol, 99%

Product No: AA6439

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA6439

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?