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4-Chlorobenzotrifluoride Structure

4-Chlorobenzotrifluoride

  • Product Name4-Chlorobenzotrifluoride
  • CAS98-56-6
  • CBNumberCB9854750
  • MFC7H4ClF3
  • MW180.55
  • EINECS202-681-1
  • MDL NumberMFCD00000627
  • MOL File98-56-6.mol

Chemical Properties

Melting point: −32.8 °C (−27.0 °F; 240.3 K)
Boiling point: 138.6 °C (281.5 °F; 411.8 K)
Density  1.33-1.35 @ 22 °C (72 °F)
vapor pressure  10hPa at 25℃
refractive index  1.45
Flash point: 42.8 °C (109.0 °F; 315.9 K)
storage temp.  Flammables area
solubility  56mg/l
form  liquid
color  Colorless
Specific Gravity 1.353
Odor aromatic odor
Water Solubility  29 ppm (23 ºC)
Merck  14,2126
BRN  510203
Henry's Law Constant 2.8×10-4 mol/(m3Pa) at 25℃, HSDB (2015)
Exposure limits ACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3
Stability: Stable, but heat and light sensitive. Reacts vigorously with oxidizing agents. Flammable. Incompatible with sodium dimethyl sulfonate, strong bases.
InChI 1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKey QULYNCCPRWKEMF-UHFFFAOYSA-N
SMILES FC(F)(F)c1ccc(Cl)cc1
LogP 3.7 at 25℃
CAS DataBase Reference 98-56-6(CAS DataBase Reference)
NIST Chemistry Reference Benzene, 1-chloro-4-(trifluoromethyl)-(98-56-6)
IARC 2B (Vol. 125)
EPA Substance Registry System p-Chlorobenzotrifluoride (98-56-6)

Safety

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)Environment (GHS09)
GHS02,GHS07,GHS09
Signal word  Warning
Hazard statements  H315-H319-H411-H226
Precautionary statements  P501-P273-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P391-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
PPE Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes  Xi,F,N
Risk Statements  10-36/37/38
Safety Statements  26-36-24/25-16-36/37/39
RIDADR  UN 2234 3/PG 3
WGK Germany  2
RTECS  XS9145000
Hazard Note  Flammable/Irritant
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  2903999090
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Chronic 2
Flam. Liq. 3
Skin Sens. 1
Hazardous Substances Data 98-56-6(Hazardous Substances Data)
REACH Registrations Active
Limited Quantities 5.0 L (1.3 gallons) (liquid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
NFPA 704:
2
2 0

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