N1-phenylbenzene-1,4-diamine, 95%

Name: N1-phenylbenzene-1,4-diamine
Brand: Chempure

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CAS Number

101-54-2

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IUPAC name	4-N-phenylbenzene-1,4-diamine
canonical smiles	C1=CC=C(C=C1)NC2=CC=C(C=C2)N
inchi	InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
inchi key	ATGUVEKSASEFFO-UHFFFAOYSA-N
molecular formula	C12H12N2
synonyms	4-Aminodiphenylamine N-Phenyl-p-phenylenediamine 101-54-2 N1-phenylbenzene-1,4-diamine P-AMINODIPHENYLAMINE
Compound Description	N-phenyl-p-phenylenediamine appears as odorless purple-black solid or flake or dark purple chips. P-aminodiphenylamine is an aromatic amine that is the 4-amino derivative of diphenylamine. It has a role as an allergen. It is a secondary amino compound and an aromatic amine. It is functionally related to a diphenylamine.

Computed Properties

Molecular Weight:	184.24 g/mol
XLogP3:	2.5
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	2
Exact Mass:	184.100048391 g/mol
Monoisotopic Mass:	184.100048391 g/mol
Topological Polar Surface Area:	38 Å²
Heavy Atom Count:	14
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	Acute Tox. 4 (97.13%) Skin Sens. 1 (97.28%) Eye Irrit. 2 (29.76%) Aquatic Acute 1 (90.79%) Aquatic Chronic 1 (93.2%) Acute toxicity - category 4 Skin sensitisation - category 1 Acute toxicity (Oral) - Category 4 Serious eye damage/eye irritation - Category 2B Skin sensitization - Category 1 Reproductive toxicity - Category 2 Specific target organ toxicity - Single exposure - Category 2 (blood) Hazardous to the aquatic environment (Acute) - Category 1 Hazardous to the aquatic environment (Long-term) - Category 1
precautionary statement codes	P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501
hazard statements	H302 (97.13%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (97.28%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (29.76%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H400 (90.79%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (93.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
hazards summary	Potential adverse effects form using this hair dye include dermatitis, eye injury, and liver damage. When it was used in hair dyes, sensitization was relatively low in hairdressers. A skin and eye irritant. May cause skin sensitization. Can induce methemoglobinemia if ingested. Skin designation. Danger of skin sensitization. 3B carcinogen.

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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-N-phenylbenzene-1,4-diamine
canonical smiles	C1=CC=C(C=C1)NC2=CC=C(C=C2)N
inchi	InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
inchi key	ATGUVEKSASEFFO-UHFFFAOYSA-N
molecular formula	C12H12N2
synonyms	4-Aminodiphenylamine N-Phenyl-p-phenylenediamine 101-54-2 N1-phenylbenzene-1,4-diamine P-AMINODIPHENYLAMINE
Compound Description	N-phenyl-p-phenylenediamine appears as odorless purple-black solid or flake or dark purple chips. P-aminodiphenylamine is an aromatic amine that is the 4-amino derivative of diphenylamine. It has a role as an allergen. It is a secondary amino compound and an aromatic amine. It is functionally related to a diphenylamine.

Computed Properties

Molecular Weight:	184.24 g/mol
XLogP3:	2.5
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	2
Exact Mass:	184.100048391 g/mol
Monoisotopic Mass:	184.100048391 g/mol
Topological Polar Surface Area:	38 Å²
Heavy Atom Count:	14
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	Acute Tox. 4 (97.13%) Skin Sens. 1 (97.28%) Eye Irrit. 2 (29.76%) Aquatic Acute 1 (90.79%) Aquatic Chronic 1 (93.2%) Acute toxicity - category 4 Skin sensitisation - category 1 Acute toxicity (Oral) - Category 4 Serious eye damage/eye irritation - Category 2B Skin sensitization - Category 1 Reproductive toxicity - Category 2 Specific target organ toxicity - Single exposure - Category 2 (blood) Hazardous to the aquatic environment (Acute) - Category 1 Hazardous to the aquatic environment (Long-term) - Category 1
precautionary statement codes	P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501
hazard statements	H302 (97.13%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (97.28%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (29.76%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H400 (90.79%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (93.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
hazards summary	Potential adverse effects form using this hair dye include dermatitis, eye injury, and liver damage. When it was used in hair dyes, sensitization was relatively low in hairdressers. A skin and eye irritant. May cause skin sensitization. Can induce methemoglobinemia if ingested. Skin designation. Danger of skin sensitization. 3B carcinogen.

Product No: AX4407

N1-phenylbenzene-1,4-diamine, 95%

Product No: AX4407

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: AX4407

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?