2,4-Diaminotoluene

1,3-Benzenediamine, 4-methyl-, coupled with diazotized 4-methyl-1,3-phenylenediamine, diazotized m-phenylenediamine, diazotized m-toluidine, m-phenylenediamine and m-toluidine, acetates

https://huagongshe.com/en/chemical/7261

Identifiers & Physical Properties

CAS No.	26764-44-3
Molecular formula	C7H10N2
Average molar mass	122.17 g/mol
Monoisotopic mass	122.08439832 g/mol
SMILES	Cc1ccc(N)cc1N
InChIKey	VOZKAJLKRJDJLL-UHFFFAOYSA-N
PubChem CID	7261
ChEMBL	CHEMBL541230
ChEBI	CHEBI:34237
EC No.	202-453-1
DTXSID	DTXSID4020402

Chemical & Physical Properties

XLogP	0.1
Topological polar surface area	52
Hydrogen bond donors	2
Hydrogen bond acceptors	2
Rotatable bonds	0
Heavy atoms	9
Formal charge	0
Complexity	92.9
Chemical classes	Hazardous Air Pollutants (HAPs)Nitrogen Compounds -> Amines, AromaticCarcinogens
SpringerMaterials Properties	Boiling point
Pesticides	Pesticide -> EPA IRIS
LogP (partition coefficient)	log Kow = 0.140.35
Density	1.045 at 212 °F (NTP, 1992) - Denser than waterwill sink1.26 kg/lRelative density of the vapour/air-mixture at 20 °C (air = 1): 1.001.05 (liquid at 212 °F)
Color/Form	Needles from watercrystals from alcoholPrisms from alcoholColorless crystals
Solubility	1 to 5 mg/mL at 70 °F (NTP, 1992)Very soluble in water, ethanol, ethyl ethersoluble in acetone, carbon disulfideSoluble in water, alcohol, and etherSolubility in water, g/100ml at 20 °C: 3.5
Flash point	300 °F (NTP, 1992)[ICSC] 149 °C
Boiling point	558 °F at 760 mmHg (NTP, 1992)292 °C292 °C @760 [mm Hg]
Decomposition	When heated to decomposition it emits toxic fumes of nitrogen oxides.
Melting point	210 °F (NTP, 1992)99 °C
Vapor density	Relative vapor density (air = 1): 4.2

Safety & Regulations

Hazards summary
GHS classification	DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P264, P270, P272, P273, P280, P301+P316, P302+P352, P317, P318, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P317, P318, P319, P321, P330, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Regulatory information	Chemical: 1,3-Benzenediamine, 4-methyl-Hazard Traits - CarcinogenicityHematotoxicityHepatotoxicity and Digestive System ToxicityNeurotoxicityRespiratory Toxicity1,3-Benzenediamine, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenediamine, 4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.Status: Active Update: 21-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13465Substance: 4-methyl-m-phenylenediamine (toluene-2,4-diamine)
Other safety information	IMAP assessments - 1,3-Benzenediamine, 4-methyl-: Human health tier II assessment
DOT label	Poison
Fire hazards	Special Hazards of Combustion Products: Toxic fumes are generated when heated.· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air.
Health hazards	Excerpt from NIOSH Pocket Guide for Toluenediamine:· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin.