ChemicalBook--->CAS DataBase List--->496-72-0

496-72-0

496-72-0 Structure

496-72-0 Structure
IdentificationMore
[Name]

3,4-Diaminotoluene
[CAS]

496-72-0
[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
[EINECS(EC#)]

207-826-2
[Molecular Formula]

C7H10N2
[MDL Number]

MFCD00007728
[Molecular Weight]

122.17
[MOL File]

496-72-0.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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.
[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 .
[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 ProductsBack Directory
[Raw materials]

4-Methyl-2-nitroaniline
[Preparation Products]

2,1,3-Benzothiadiazole-5-carbaldehyde-->2,1,3-Benzothiadiazol-5-ylmethanol-->5-(BROMOMETHYL)-2,1,3-BENZOTHIADIAZOLE-->5-METHYL-2,1,3-BENZOTHIADIAZOLE-->3,4-Dichlorotoluene-->QUINOXALINE-6-CARBALDEHYDE-->5-Methylbenzimidazole-->toluene-3,5-diamine-->C.I.Disperse Yellow 162-->Disperse Orange 32-->9-METHYLACENAPHTHO(1,2-B)-QUINOXALINE
Hazard InformationBack Directory
[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)Back Directory
[msds information]

4-Methyl-o-phenylenediamine(496-72-0).msds
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-Diaminotoluene(496-72-0)MS
3,4-Diaminotoluene(496-72-0)1HNMR
3,4-Diaminotoluene(496-72-0)13CNMR
3,4-Diaminotoluene(496-72-0)IR1
3,4-Diaminotoluene(496-72-0)IR2
3,4-Diaminotoluene(496-72-0)IR3
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,4-Diaminotoluene, 97%(496-72-0)
[Alfa Aesar]

3,4-Diaminotoluene, 97%(496-72-0)
[TCI AMERICA]

3,4-Diaminotoluene,>98.0%(T)(496-72-0)
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