CAS 101-77-9 4,4'-Diaminodiphenylmethane - Materials / Alfa Chemistry

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Monomers

4,4'-Diaminodiphenylmethane

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Catalog Number

ACM101779-1

Product Name

4,4'-Diaminodiphenylmethane

Structure

CAS

101-77-9

Category

Monomers

Description

4,4'-diaminodiphenylmethane appears as a tan flake or lump solid with a faint fishlike odor. May be toxic by inhalation or ingestion, and may be irritating to skin. Insoluble in water.;DryPowder; Liquid; OtherSolid; OtherSolid, Liquid;Solid;COLOURLESS-TO-PALE-YELLOW FLAKES WITH CHARACTERISTIC ODOUR. TURNS DARK ON EXPOSURE TO AIR.;Pale-brown, crystalline solid with a faint, amine-like odor.;Pale-brown, crystalline solid with a faint, amine-like odor.

IUPAC Name

4-[(4-aminophenyl)methyl]aniline

Molecular Weight

198.26g/mol

Molecular Formula

C13H14N2;NH2C6H4CH2C6H4NH2;C13H14N2

Canonical SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)N)N

InChI

InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2

InChI Key

YBRVSVVVWCFQMG-UHFFFAOYSA-N

Boiling Point

748 to 750 °F at 768 mm Hg (NTP, 1992);398.0 °C;398 °C;at 102kPa: 398-399 °C;748°F;748°F

Melting Point

197 to 198 °F (NTP, 1992);92.5 °C;92.5 °C;92.5°C;91.5-92 °C;198°F;198°F

Flash Point

430 °F (NTP, 1992);428 °F (220 °C) (closed cup);220 °C c.c.;430°F;374°F

Density

1.15 at 77 °F (NTP, 1992);1.070 g/mL at 103 °C;0.5 g/cm³;1.15;1.06 (Liquid at 212°F)

Solubility

less than 1 mg/mL at 66° F (NTP, 1992);0.01 M;Slightly sol in cold water. Very sol in alcohol, benzene, ether;Solubility (g/100mL solvent at 25 °C): 273.0 in acetone; 9.0 in benzene; 0.7 in carbon tetrachloride; 9.5 in ethyl ether; 143.0 in methanol; 0.1 in water;In water, 1.00X10+3 mg/L at 25 °C;1 mg/mL at 25 °C;Solubility in water: poor;0.1%

Color/Form

Crystals from water or benzene;Tan flakes, lumps, or pearly leaflets from benzene;Plates or needles (water); plates (benzene);Light-brown crystals;Light tan to white crystalline solid

Complexity

157

Covalently-Bonded Unit Count

EC Number

202-974-4

Exact Mass

198.115698g/mol

Formal Charge

Heat of Vaporization

95.4 kJ/mol

Heavy Atom Count

ICSC Number

1111

Log P

1.59 (LogP);log Kow = 1.59;1.59;1.6

MeSH Entry Terms

4,4'-diaminodiphenylmethane;4,4'-diaminodiphenylmethane dihydrochloride;4,4'-diaminodiphenylmethane, sodium chloride (3:1);4,4'-MDA;4,4'-methylene dianiline;4,4'-methylenebisaniline;4,4'-methylenedianiline;di(4-aminophenyl)methane;p,p'-diaminodiphenylmethane;Tonox

Monoisotopic Mass

198.115698g/mol

NSC Number

4709

Odor

Faint, amine-like odor

Other Experimental

Molar heat capacity: 270.9 J/mol-K;BP: 257 °C at 18 mm Hg; 249-253 °C at 15 mm Hg; 232 °C at 9 mm Hg;Reacts similarly to other aromatic amines. Heat of fusion: 19.6 kJ/mol. Specific heat: 2.1 J/g-deg C;Henry's Law constant = 5.3X10-11 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 3.00X10-11 cu cm/molec-sec at 25 °C

Rotatable Bond Count

RTECS Number

BY5425000

Stability

OXIDIZES IN AIR; PALE YELLOW CRYSTALS TURN DARK COLOR WHEN EXPOSED TO AIR.

UNII

GG5LL7OBZC

UN Number

2651;2651;2651;2651

Vapor Density

6.8 (NTP, 1992) (Relative to Air);6.8 (Air = 1);6.8

Vapor Pressure

1e-07 mm Hg at 77 °F (calculated) (NTP, 1992);2.03X10-7 mm Hg at 25 °C;Vapor pressure, Pa at 197 °C: 133;0.0000002 mmHg at 77°F;(77°F): 0.0000002 mmHg

Viscosity

8.3 cP at 100 °C

XLogP3

1.6

MSDS

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COA

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Spec Sheet

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