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4,4'-Methylene bis(2-chloroaniline) Structure

4,4'-Methylene bis(2-chloroaniline)

Chemical Properties

Melting point 102-107 °C(lit.)
Boiling point 202-214 °C0.3 mm Hg(lit.)
Density  1.44
vapor pressure  0.001Pa at 20℃
refractive index  1.6710 (estimate)
Flash point >230 °F
solubility  Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
form  solid
pka 3.33±0.25(Predicted)
color  Light orange to Yellow to Green
Water Solubility  <0.1 g/100 mL at 25 ºC
Merck  14,6059
BRN  1882318
Henry's Law Constant 9.0×105 mol/(m3Pa) at 25℃, HSDB (2015)
Stability Stable, but decomposes exothermically, and possibly explosively, above 200 C. Incompatible with strong oxidizing agents.
Major Application environmental
InChI 1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2
InChIKey IBOFVQJTBBUKMU-UHFFFAOYSA-N
SMILES Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl
LogP 2.5 at 25℃
CAS DataBase Reference 101-14-4(CAS DataBase Reference)
IARC 1 (Vol. Sup 7, 57, 99, 100F) 2012
NIST Chemistry Reference Aniline), methylene bis-4,4'-(2-chloro-(101-14-4)
EPA Substance Registry System 4,4'-Methylenebis(2-chloroaniline) (101-14-4)

Safety Information

Hazard Codes  T,N
Risk Statements  45-22-50/53-53-50-68
Safety Statements  53-45-60-61-36/37
RIDADR  UN 3077 9/PG 3
OEB E
OEL TWA: 0.003 mg/m3 [skin]
WGK Germany  3
RTECS  CY1050000
TSCA  TSCA listed
HazardClass  6.1(b)
PackingGroup  III
HS Code  29215900
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Carc. 1B
Muta. 2
Hazardous Substances Data 101-14-4(Hazardous Substances Data)
Toxicity LD50 oral in rat: 1140mg/kg

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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