ChemicalBook CAS DataBase List 496-72-0

496-72-0

Name	3,4-Diaminotoluene
CAS	496-72-0
EINECS(EC#)	207-826-2
Molecular Formula	C7H10N2
MDL Number	MFCD00007728
Molecular Weight	122.17
MOL File	496-72-0.mol

Synonyms

2-AMINO-4-METHYLPHENYLAMINE 3,4-DIAMINOTOLUENE 3,4-TOLUENEDIAMINE 3,4-TOLUOLDIAMINE 3,4-TOLUYLENEDIAMINE 4-METHYL-1,2-BENZENEDIAMINE 4-METHYL-1,2-PHENYLENEDIAMINE 4-METHYL-BENZENE-1,2-DIAMINE 4-METHYL-O-PHENYLDIAMINE 4-METHYL-O-PHENYLENEDIAMINE ASYM-O-TOLYLENEDIAMINE O-TOLUYLENEDIAMINE TIMTEC-BB SBB007557 TOLYLENE-3,4-DIAMINE 1,2-benzenediamine,-methyl- 1,2-Diamino-4-ethylbenzene 1,2-Diamino-4-methylbenzene 1,2-diamion-4-methylbenzene 2-Benzenediamine,4-methyl-1 3,4-Diamino-1-methylbenzene

Chemical Properties

Appearance	Off-white small blocks
Melting point	87-89 °C (lit.)
Boiling point	155-156 °C/18 mmHg (lit.)
density	1.2207 (rough estimate)
refractive index	1.5103 (estimate)
Fp	155-156°C/18mm
storage temp.	Keep in dark place,Inert atmosphere,Room temperature
solubility	Chloroform (Sparingly), Methanol (Slightly)
form	Crystalline Chunks or Flakes
pka	4.59±0.10(Predicted)
color	Brown to grayish-brown
Stability:	Stable. Incompatible with strong oxidizing agents.
Water Solubility	16 g/L (20 ºC)
BRN	507965
Cosmetics Ingredients Functions	HAIR DYEING
InChI	1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
InChIKey	DGRGLKZMKWPMOH-UHFFFAOYSA-N
SMILES	Cc1ccc(N)c(N)c1
CAS DataBase Reference	496-72-0(CAS DataBase Reference)
NIST Chemistry Reference	1,2-Benzenediamine, 4-methyl-(496-72-0)
EPA Substance Registry System	496-72-0(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302+H312+H332-H315-H319-H335
Precautionary statements	P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Hazard Codes	Xn
Risk Statements	R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin . R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment . R40:Limited evidence of a carcinogenic effect. R36:Irritating to the eyes. R22:Harmful if swallowed. less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S37/39:Wear suitable gloves and eye/face protection . S61:Avoid release to the environment. Refer to special instructions safety data sheet . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . less more
RIDADR	UN 2811
WGK Germany	2
RTECS	XS9820000
TSCA	Yes
REACH Registrations	Inactive
HazardClass	6.1(b)
PackingGroup	III
HS Code	29215119
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3
Hazardous Substances Data	496-72-0(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

General Description

A colorless to brownish purple crystalline solid. Toxic by ingestion and inhalation and an irritant to skin and eyes. Soluble in water, alcohol and ether. Decomposes to emit toxic oxides of nitrogen when heated to high temperature. Used in making dyes.

Reactivity Profile

3,4-DIAMINOTOLUENE(496-72-0) neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.

Air & Water Reactions

Insoluble in water.

Fire Hazard

Flash point data for this chemical are not available. 3,4-DIAMINOTOLUENE is probably combustible.

Chemical Properties

Off-white small blocks

Uses

5-Methylbenzotriazole intermediate.

Synthesis Reference(s)

Tetrahedron Letters, 42, p. 2277, 2001 DOI: 10.1016/S0040-4039(01)00163-0

Synthesis

A synthesis method of 3,4-Diaminotoluene include that hydrogenation reduction reaction is performed by taking o-nitro-p-toluidine as a raw material under the action of a catalyst and an alcohol solvent to obtain 3,4-diaminotoluene, wherein the weight ratio of the solvent to o-nitro-p-toluidine is (1.5-3):1; and in the hydrogenation reduction reaction, the temperature is 65-85 DEG C and the pressure is 1.0-4.0 MPa.

Material Safety Data Sheet(MSDS)

Spectrum Detail

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