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Product No: AA7333

Diphenylamine, 98%

Name: Diphenylamine
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

122-39-4

Molecular Weight

169.22

Formula

(C6H5)2NH

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About this item

IUPAC name	N-phenylaniline
canonical smiles	C1=CC=C(C=C1)NC2=CC=CC=C2
inchi	InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
inchi key	DMBHHRLKUKUOEG-UHFFFAOYSA-N
molecular formula	C12H11N
synonyms	Diphenylamine N-Phenylaniline 122-39-4 N,N-DIPHENYLAMINE N-Phenylbenzenamine
Compound Description	Diphenylamine is a light tan to brown solid with a pleasant odor. Sinks in water. Diphenylamine is an aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union. It has a role as a carotogenesis inhibitor, an antioxidant, an EC 1.3.99.29 [phytoene desaturase ] inhibitor, an antifungal agrochemical, a ferroptosis inhibitor and a radical scavenger. It is an aromatic amine, a secondary amino compound and a bridged diphenyl fungicide. Diphenylamine is a natural product found in Camellia sinensis, Trigonella foenum-graecum, and other organisms with data available. Diphenylamine is found in coriander. Diphenylamine is used for control of superficial scald in stored apples Diphenylamine is the organic compound with the formula 2NH. It is a colourless solid, but samples are often yellow due to oxidized impurities. It is a weak base, with a KB of 10 14. With strong acids, it forms the water soluble salt. Diphenylamine belongs to the family of Aromatic Homomonocyclic Compounds. These are aromatic compounds containig only one ring, which is homocyclic. In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning.

Computed Properties

Molecular Weight:	169.22 g/mol
XLogP3:	3.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	2
Exact Mass:	169.089149355 g/mol
Monoisotopic Mass:	169.089149355 g/mol
Topological Polar Surface Area:	12 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	116
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	Danger
hazard classes and categories	Acute Tox. 3 (99.95%) Eye Irrit. 2 (30.39%) STOT RE 2 (100%) Aquatic Acute 1 (96.03%) Aquatic Chronic 1 (100%) Acute toxicity - category 3 Specific target organ toxicity (repeated exposure) - category 2 Hazardous to the aquatic environment (chronic) - category 1 Hazardous to the aquatic environment (acute) - category 1 Serious eye damage/eye irritation - Category 1 Reproductive toxicity - Category 2 Specific target organ toxicity - Single exposure - Category 1 (central nervous system, blood system), Category 3 (respiratory tract irritation) Specific target organ toxicity - Repeated exposure - Category 2 (blood system, kidney) Hazardous to the aquatic environment (Acute) - Category 1 Hazardous to the aquatic environment (Long-term) - Category 1 Acute toxicity (Oral) - Category 4 Skin sensitization - Category 1 Specific target organ toxicity - Single exposure - Category 1 (blood system, urinary organs) Specific target organ toxicity - Repeated exposure - Category 1 (cardiovascular system, blood, urinary bladder), Category 2 (kidney) Acute Tox. 3 * STOT RE 2 * Aquatic Acute 1 Aquatic Chronic 1
precautionary statement codes	P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P337+P317, P361+P364, P391, P403+P233, P405, and P501
hazard statements	H301 (99.95%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (99.95%): Toxic in contact with skin [Danger Acute toxicity, dermal]

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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	N-phenylaniline
canonical smiles	C1=CC=C(C=C1)NC2=CC=CC=C2
inchi	InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
inchi key	DMBHHRLKUKUOEG-UHFFFAOYSA-N
molecular formula	C12H11N
synonyms	Diphenylamine N-Phenylaniline 122-39-4 N,N-DIPHENYLAMINE N-Phenylbenzenamine
Compound Description	Diphenylamine is a light tan to brown solid with a pleasant odor. Sinks in water. Diphenylamine is an aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union. It has a role as a carotogenesis inhibitor, an antioxidant, an EC 1.3.99.29 [phytoene desaturase ] inhibitor, an antifungal agrochemical, a ferroptosis inhibitor and a radical scavenger. It is an aromatic amine, a secondary amino compound and a bridged diphenyl fungicide. Diphenylamine is a natural product found in Camellia sinensis, Trigonella foenum-graecum, and other organisms with data available. Diphenylamine is found in coriander. Diphenylamine is used for control of superficial scald in stored apples Diphenylamine is the organic compound with the formula 2NH. It is a colourless solid, but samples are often yellow due to oxidized impurities. It is a weak base, with a KB of 10 14. With strong acids, it forms the water soluble salt. Diphenylamine belongs to the family of Aromatic Homomonocyclic Compounds. These are aromatic compounds containig only one ring, which is homocyclic. In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning.

Computed Properties

Molecular Weight:	169.22 g/mol
XLogP3:	3.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	2
Exact Mass:	169.089149355 g/mol
Monoisotopic Mass:	169.089149355 g/mol
Topological Polar Surface Area:	12 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	116
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	Danger
hazard classes and categories	Acute Tox. 3 (99.95%) Eye Irrit. 2 (30.39%) STOT RE 2 (100%) Aquatic Acute 1 (96.03%) Aquatic Chronic 1 (100%) Acute toxicity - category 3 Specific target organ toxicity (repeated exposure) - category 2 Hazardous to the aquatic environment (chronic) - category 1 Hazardous to the aquatic environment (acute) - category 1 Serious eye damage/eye irritation - Category 1 Reproductive toxicity - Category 2 Specific target organ toxicity - Single exposure - Category 1 (central nervous system, blood system), Category 3 (respiratory tract irritation) Specific target organ toxicity - Repeated exposure - Category 2 (blood system, kidney) Hazardous to the aquatic environment (Acute) - Category 1 Hazardous to the aquatic environment (Long-term) - Category 1 Acute toxicity (Oral) - Category 4 Skin sensitization - Category 1 Specific target organ toxicity - Single exposure - Category 1 (blood system, urinary organs) Specific target organ toxicity - Repeated exposure - Category 1 (cardiovascular system, blood, urinary bladder), Category 2 (kidney) Acute Tox. 3 * STOT RE 2 * Aquatic Acute 1 Aquatic Chronic 1
precautionary statement codes	P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P337+P317, P361+P364, P391, P403+P233, P405, and P501
hazard statements	H301 (99.95%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (99.95%): Toxic in contact with skin [Danger Acute toxicity, dermal]

Product No: AA7333

Diphenylamine, 98%

Product No: AA7333

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: AA7333

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?