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1,3-Bis(aminomethyl)benzene

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Name

1,3-Bis(aminomethyl)benzene

EINECS 216-032-5
CAS No. 1477-55-0 Density 1.052 g/cm3
PSA 52.04000 LogP 2.00460
Solubility Miscible Melting Point 14 °C
Formula C8H12N2 Boiling Point 247 °C at 760 mmHg
Molecular Weight 136.197 Flash Point 130.4 °C
Transport Information N/A Appearance clear slightly yellow liquid
Safety 26-36/37/39-45-61-28A Risk Codes 21/22-23-34-43-52/53
Molecular Structure Molecular Structure of 1477-55-0 (1,3-Bis(aminomethyl)benzene) Hazard Symbols ToxicT,CorrosiveC
Synonyms

a,a'-Diamino-m-xylene;meta-Xylylenediamine( MXDA );m-Xylene-a,a'-diamine (6CI,8CI);1,3-Bis(aminomethyl)benzene;1,3-Xylylenediamine;3-(Aminomethyl)benzylamine;Epilink MX;Euredur 22;NSC 61568;Shoamine X;m-(a,a'-Diamino)xylene;m-Xylylenediamine;

Article Data 62

1,3-Bis(aminomethyl)benzene Synthetic route

24964-64-5

3-Cyanobenzaldehyde

1477-55-0

1,3-di(aminomethyl)benzene

Conditions
ConditionsYield
With ammonia; hydrogen In methanol at 100℃; under 37503.8 Torr; for 5h;100%
With ammonia; hydrogen In methanol at 80℃; under 22502.3 Torr; for 5h;74%
626-17-5

benzene-1,3-dicarbonitrile

1477-55-0

1,3-di(aminomethyl)benzene

Conditions
ConditionsYield
With ammonia; hydrogen In methanol at 100℃; under 22502.3 Torr; for 2h; Pressure; Reagent/catalyst; Temperature;99%
With hydrogen; cobalt/diatomaceous earth catalyst "G67", cobalt content=56percent; pretreatment is given in full text In 1,2,4-Trimethylbenzene; ammonia at 100℃; for 50h; Product distribution / selectivity;96.2%
With hydrogen; Ni(NO3)2, Cu(NO3)2, Cr(NO3)3, Na2CO3; calcined at 380 deg C for 18 h; pretreatment is given in full text In 1,2,4-Trimethylbenzene; ammonia at 80℃; for 24h; Product distribution / selectivity;95.2%
626-19-7

Isophthalaldehyde

1477-55-0

1,3-di(aminomethyl)benzene

Conditions
ConditionsYield
With Co-doped zirconium dioxide; ammonia; hydrogen; N-butylamine In methanol at 99.84℃; for 10h; Autoclave; chemoselective reaction;97%
626-17-5

benzene-1,3-dicarbonitrile

A

1477-55-0

1,3-di(aminomethyl)benzene

B

100-81-2

3-methyl-benzenemethanamine

Conditions
ConditionsYield
With hydrogen; Ni(NO3)2, Cu(NO3)2, Cr(NO3)3, Na2CO3; calcined at 380 deg C for 18 h; pretreatment is given in full text In 1,2,4-Trimethylbenzene; ammonia at 80℃; for 24h; Product distribution / selectivity;A 96.8%
B 0.1%
With hydrogen; Ni(NO3)2, Cu(NO3)2, Cr(NO3)3, Na2CO3; calcined at 380 deg C for 18 h; activated with H2 In 1,2,4-Trimethylbenzene; ammonia at 80℃; for 24h; Product distribution / selectivity;A 92.1%
B 0.1%
626-17-5

benzene-1,3-dicarbonitrile

A

1477-55-0

1,3-di(aminomethyl)benzene

B

xylylene diamine condensation product

xylylene diamine condensation product

Conditions
ConditionsYield
With ammonia; hydrogen; catalyst A In mata-xylene at 80 - 110℃; Conversion of starting material;A 93.1%
B 5.5%
626-17-5

benzene-1,3-dicarbonitrile

A

1477-55-0

1,3-di(aminomethyl)benzene

B

10406-24-3

3-(aminomethyl)benzonitrile

Conditions
ConditionsYield
With hydrogen; nickel catalyst "NDHT"; pretreatment is given in full text In methanol; ammonia at 65℃; for 4h; Product distribution / selectivity;A 92.8%
B 0.2%
With hydrogen; Pd-alumina In ammonia; 1,3,5-trimethyl-benzene at 50℃; under 36753.7 Torr;A 7.7%
B 87.3%
With hydrogen; nickel catalyst "NDHT" In methanol; ammonia at 65℃; for 4h; Product distribution / selectivity; autoclave;A 84.8%
B 0.2%
626-17-5

benzene-1,3-dicarbonitrile

10406-24-3

3-(aminomethyl)benzonitrile

1477-55-0

1,3-di(aminomethyl)benzene

Conditions
ConditionsYield
With hydrogen; catalyst A In ammonia; 1,3,5-trimethyl-benzene at 50℃; under 36753.7 Torr;91.1%
With hydrogen; Ni-diatomaceous earth In ammonia; 1,3,5-trimethyl-benzene at 50℃; under 36753.7 Torr;89.4%
626-17-5

benzene-1,3-dicarbonitrile

7664-41-7

ammonia

108-38-3

m-xylene

A

1477-55-0

1,3-di(aminomethyl)benzene

B

10406-24-3

3-(aminomethyl)benzonitrile

Conditions
ConditionsYield
With hydrogen; Ni-3266E manufactured by Harshaw Co., Ltd.; nickel content: about 50percent at 55℃; under 112511 Torr; Product distribution / selectivity; tube reactor; feed rate = 1.5 t/h; supplying hydrogen rate = 100 Nm3/h;A 91%
B 0.1%
With hydrogen; catalyst A at 55℃; under 52505.3 Torr; Product distribution / selectivity; tube reactor; feed rate = 32 g/h; supplying hydrogen rate = 20 NL/h;A 90.9%
B 0.1%
626-16-4

3-(chloromethyl)benzyl chloride

1477-55-0

1,3-di(aminomethyl)benzene

Conditions
ConditionsYield
Stage #1: 3-(chloromethyl)benzyl chloride With ammonia In methanol at 50℃; for 6h;
Stage #2: With sodium hydroxide In water pH=13; Solvent;
89%
626-17-5

benzene-1,3-dicarbonitrile

ammoniacal methanol

ammoniacal methanol

1477-55-0

1,3-di(aminomethyl)benzene

Conditions
ConditionsYield
81.7%
79.5%

1,3-Bis(aminomethyl)benzene Consensus Reports

Reported in EPA TSCA Inventory.

1,3-Bis(aminomethyl)benzene Standards and Recommendations

OSHA PEL: TWA CL 0.1 mg/m3 (skin)
ACGIH TLV: TWA CL 0.1 mg/m3 (skin)

1,3-Bis(aminomethyl)benzene Specification

The 1,3-Bis(aminomethyl)benzene is an organic compound with the formula C8H12N2. The IUPAC name of this chemical is [3-(aminomethyl)phenyl]methanamine. With the CAS registry number 1477-55-0, it is also named as benzene-1,3-diyldimethanamine. The product's categories are Intermediates of Dyes and Pigments; Acetone series; Rubber & Plastic Auxiliary Agent. Besides, it is clear slightly yellow liquid, which should be stored in a closed cool and dry place. It is used as epoxy curing agent. It is also used as raw materials of photosensitive plastics, rubber chemicals, polyurethane resins, coatings and intermediates in organic synthesis.

Physical properties about 1,3-Bis(aminomethyl)benzene are: (1)ACD/LogP: -0.04; (2)ACD/LogD (pH 5.5): -4.14; (3)ACD/LogD (pH 7.4): -3.6; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 6.48 Å2; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 43.15 cm3; (14)Molar Volume: 129.4 cm3; (15)Polarizability: 17.1×10-24cm3; (16)Surface Tension: 47 dyne/cm; (17)Density: 1.052 g/cm3; (18)Flash Point: 130.4 °C; (19)Enthalpy of Vaporization: 48.41 kJ/mol; (20)Boiling Point: 247 °C at 760 mmHg; (21)Vapour Pressure: 0.0263 mmHg at 25°C.

Preparation: this chemical can be prepared by isophthalonitrile. This reaction will need reagent H2, catalyst 65 percent Ni/(SiO2-Al2O3) and solvent liquid ammonia propan-2-ol. The reaction time is 60 min with reaction temperature of 170 °C. The yield is about 82%.



Uses of 1,3-Bis(aminomethyl)benzene: it can be used to produce 1,3-bis-isothiocyanatomethyl-benzene at room temperature. It will need reagent NEt3 and solvent CH2Cl2 with reaction time of 1.5 hours. The yield is about 51%.

When you are using this chemical, please be cautious about it as the following:
It is harmful in contact with skin and if swallowed and toxic by inhalation. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer). In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It can cause burns and may cause sensitisation by skin contact. When you are using it, wear suitable gloves and eye/face protection and avoid release to the environment. Refer to special instructions/safety data sheet. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: NCc1cccc(c1)CN
(2)InChI: InChI=1/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2
(3)InChIKey: FDLQZKYLHJJBHD-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2
(5)Std. InChIKey: FDLQZKYLHJJBHD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 2gm/kg (2000mg/kg)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 638, 1986.
rat LC50 inhalation 700ppm/1H (700ppm) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
"Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 638, 1986.
rat LD50 oral 930mg/kg (930mg/kg)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 638, 1986.

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