4-Aminophenol, >98.0%

Name: 4-Aminophenol
Brand: Chempure

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CAS Number

123-30-8

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IUPAC name	4-aminophenol
canonical smiles	C1=CC(=CC=C1N)O
inchi	InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
inchi key	PLIKAWJENQZMHA-UHFFFAOYSA-N
molecular formula	C6H7NO
synonyms	4-aminophenol 123-30-8 p-aminophenol 4-hydroxyaniline p-hydroxyaniline
Compound Description	P-aminophenol appears as white or reddish-yellow crystals or light brown powder. Turns violet when exposed to light. 4-aminophenol is an amino phenol which has the single amino substituent located para to the phenolic -OH group. It has a role as a metabolite and an allergen. 4-Aminophenol is a natural product found in Camellia oleifera with data available. 4-Aminophenol is an amphoteric molecule and a reducing agent. Aminophenols are intermediates in the synthesis of dyes and can thus be found in numerous cosmetics products, particularly hair dyes. 4-aminophenol is considered a minor nephrotoxic metabolite of phenacetin and acetaminophen in man. 4-Aminophenol can undergo autoxidations and metal-catalyzed and enzymatic oxidations in man to produce reactive oxygen species.

Computed Properties

Molecular Weight:	109.13 g/mol
XLogP3:	0
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	109.052763847 g/mol
Monoisotopic Mass:	109.052763847 g/mol
Topological Polar Surface Area:	46.2 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	66.9
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	Acute Tox. 4 (100%) Acute Tox. 4 (99.47%) Muta. 2 (100%) Aquatic Acute 1 (98.93%) Aquatic Chronic 1 (100%) Acute toxicity - category 4 Germ cell mutagenicity - category 2 Specific target organ toxicity (repeated exposure) - category 2 Skin sensitisation - category 1 Hazardous to the aquatic environment (acute) - category 1 Hazardous to the aquatic environment (chronic) - category 1 Acute toxicity (Oral) - Category 4 Acute toxicity (Inhalation: Dusts and mists) - Category 4 Skin corrosion/irritation - Category 3 Serious eye damage/eye irritation - Category 2B Respiratory sensitization - Category 1 Skin sensitization - Category 1 Reproductive toxicity - Category 2 Specific target organ toxicity - Single exposure - Category 1 (blood system) Specific target organ toxicity - Repeated exposure - Category 1 (kidney, blood system) Hazardous to the aquatic environment (Acute) - Category 1 Hazardous to the aquatic environment (Long-term) - Category 1 Germ cell mutagenicity - Category 2 Specific target organ toxicity - Repeated exposure - Category 2 (kidney) Muta. 2 Acute Tox. 4 * Aquatic Acute 1 Aquatic Chronic 1
precautionary statement codes	P203, P261, P264, P270, P271, P273, P280, P301+P317, P304+P340, P317, P318, P330, P391, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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IUPAC name	4-aminophenol
canonical smiles	C1=CC(=CC=C1N)O
inchi	InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
inchi key	PLIKAWJENQZMHA-UHFFFAOYSA-N
molecular formula	C6H7NO
synonyms	4-aminophenol 123-30-8 p-aminophenol 4-hydroxyaniline p-hydroxyaniline
Compound Description	P-aminophenol appears as white or reddish-yellow crystals or light brown powder. Turns violet when exposed to light. 4-aminophenol is an amino phenol which has the single amino substituent located para to the phenolic -OH group. It has a role as a metabolite and an allergen. 4-Aminophenol is a natural product found in Camellia oleifera with data available. 4-Aminophenol is an amphoteric molecule and a reducing agent. Aminophenols are intermediates in the synthesis of dyes and can thus be found in numerous cosmetics products, particularly hair dyes. 4-aminophenol is considered a minor nephrotoxic metabolite of phenacetin and acetaminophen in man. 4-Aminophenol can undergo autoxidations and metal-catalyzed and enzymatic oxidations in man to produce reactive oxygen species.

Computed Properties

Molecular Weight:	109.13 g/mol
XLogP3:	0
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	109.052763847 g/mol
Monoisotopic Mass:	109.052763847 g/mol
Topological Polar Surface Area:	46.2 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	66.9
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	Acute Tox. 4 (100%) Acute Tox. 4 (99.47%) Muta. 2 (100%) Aquatic Acute 1 (98.93%) Aquatic Chronic 1 (100%) Acute toxicity - category 4 Germ cell mutagenicity - category 2 Specific target organ toxicity (repeated exposure) - category 2 Skin sensitisation - category 1 Hazardous to the aquatic environment (acute) - category 1 Hazardous to the aquatic environment (chronic) - category 1 Acute toxicity (Oral) - Category 4 Acute toxicity (Inhalation: Dusts and mists) - Category 4 Skin corrosion/irritation - Category 3 Serious eye damage/eye irritation - Category 2B Respiratory sensitization - Category 1 Skin sensitization - Category 1 Reproductive toxicity - Category 2 Specific target organ toxicity - Single exposure - Category 1 (blood system) Specific target organ toxicity - Repeated exposure - Category 1 (kidney, blood system) Hazardous to the aquatic environment (Acute) - Category 1 Hazardous to the aquatic environment (Long-term) - Category 1 Germ cell mutagenicity - Category 2 Specific target organ toxicity - Repeated exposure - Category 2 (kidney) Muta. 2 Acute Tox. 4 * Aquatic Acute 1 Aquatic Chronic 1
precautionary statement codes	P203, P261, P264, P270, P271, P273, P280, P301+P317, P304+P340, P317, P318, P330, P391, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Product No: BD4426

4-Aminophenol, >98.0%

Product No: BD4426

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Product No: BD4426

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?