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Merck
CN

45922

4-Methyl-m-phenylenediamine

analytical standard

Synonym(s):

2,4-Diaminotoluene, 2,4-Toluenediamine, 4-Methyl-1,3-phenylenediamine

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About This Item

Linear Formula:
CH3C6H3(NH2)2
CAS Number:
95-80-7
Molecular Weight:
122.17
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329757013
EC Number:
202-453-1
Beilstein/REAXYS Number:
2205839
MDL number:
MFCD00007804

Key Documents

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InChI key

VOZKAJLKRJDJLL-UHFFFAOYSA-N

InChI

1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3

SMILES string

Cc1ccc(N)cc1N

grade

analytical standard

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

bp

283-285 °C (lit.)

mp

97-99 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
food and beverages
personal care

format

neat

Quality Level

100

General description

4-Methyl-m-phenylenediamine is an industrial intermediate, widely used in the production of industrial dyes and polyurethane foams.
This compound is listed in the SVHC (Substances of very high concern) candidate list of ECHA (European Chemicals Agency)

Application

4-Methyl-m-phenylenediamine may be used as an analytical reference standard for the quantification of the analyte in biological fluids using high-performance liquid chromatography.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 2 - Carc. 1B - Muta. 2 - Repr. 2 - Skin Sens. 1 - STOT RE 2

target_organs

Liver,Kidney

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

320.0 °F - closed cup

flash_point_c

160 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCG6131
BCBV0649

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High-performance liquid chromatography of 2, 6-and 2, 4-diaminotoluene, and its application to the determination of 2, 4-diaminotoluene in urine and plasma.
Unger DP and Friedman AM
Journal of Chromatography A, 174(2), 379-384 (1979)
2,4-Diaminotoluene.
Report on carcinogens : carcinogen profiles, 11, III79-III80 (2004-01-01)
Jeroen A J Vanoirbeek et al.
Toxicological sciences : an official journal of the Society of Toxicology, 109(2), 256-264 (2009-04-01)
Toluene diamine (TDA) is formed when toluene diisocyanate (TDI), a potent sensitizer, comes in contact with an aqueous environment. The sensitizing capacity of TDA and the cross-reactivity between TDI and TDA are unknown. TDA (5-25%) and TDI (0.3%), dissolved in
2,4-Diaminotoluene.
Report on carcinogens : carcinogen profiles, 12, 131-132 (2011-08-19)
Pei-Shan Liu et al.
Toxicology, 219(1-3), 167-174 (2005-12-13)
Toluene diisocyanate (TDI) is widely used as a chemical intermediate in the production of polyurethane. TDI-induced asthma is related to its disturbance of acetylcholine activity in most affected workers, but the relevant mechanisms are unclear. Toluene diamine (TDA) is the
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