3,4-Dichloroaniline Structure

3,4-Dichloroaniline

Chemical Properties

Melting point 69-71 °C(lit.)
Boiling point 272 °C(lit.)
Density  1,34 g/cm3
vapor pressure  97.5Pa at 78℃
refractive index  1.6140 (estimate)
Flash point 166 °C
storage temp.  0-6°C
solubility  0.73g/l
pka 2.90±0.10(Predicted)
form  Crystalline Mass and/or Chunks
color  Beige to brown
PH 7.1 (0.8g/l, H2O)
Water Solubility  0.06 g/100 mL
Merck  14,3054
BRN  636837
Henry's Law Constant 6.8×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Stability Stable, but darkens in storage. Combustible. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides.
InChI 1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
InChIKey SDYWXFYBZPNOFX-UHFFFAOYSA-N
SMILES Nc1ccc(Cl)c(Cl)c1
LogP 2.68 at 20℃
CAS DataBase Reference 95-76-1(CAS DataBase Reference)
EWG's Food Scores 3-4
FDA UNII 20KR9WJ4NS
NIST Chemistry Reference Benzenamine, 3,4-dichloro-(95-76-1)
EPA Substance Registry System 3,4-Dichloroaniline (95-76-1)
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Corrosion (GHS05)Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
Signal wordDanger
Hazard statements H301+H311+H331-H315-H318-H371-H372-H317-H334-H410
Precautionary statements P501-P273-P272-P260-P270-P271-P264-P280-P284-P391-P342+P311-P308+P311-P361+P364-P333+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P305+P351+P338+P310-P403+P233-P405
Hazard Codes  T,N
Risk Statements  23/24/25-41-43-50/53-51/53-33
Safety Statements  26-36/37/39-45-60-61-36/37-28
RIDADR  UN 1590 (DICHLOROANILINES, LIQUID)
WGK Germany  3
RTECS  BX2625000
F  8
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  II
HS Code  29214210
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Sens. 1
Hazardous Substances Data 95-76-1(Hazardous Substances Data)
NFPA 704:
1
3 0

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