trans-1,3-Dichloropropene Structure

trans-1,3-Dichloropropene

Chemical Properties

Boiling point 97-112 °C(lit.)
Density  1.198 g/mL at 25 °C(lit.)
vapor pressure  79.1 at 50 °C, 523.5 at 100 °C (Wilding et al., 2002)
refractive index  n20/D 1.472(lit.)
Flash point 78 °F
storage temp.  0-6°C
solubility  Miscible with acetone, benzene, carbon tetrachloride, heptane, methanol (Worthing and Hance, 1991), methylene chloride, chloroform, trichloroethylene, and 1,1,2,2-tetrachloroethane.
color  Colorless to Light yellow to Light orange
Specific Gravity 1.217
Water Solubility  2.8g/L(20 ºC)
Merck  14,3075
Henry's Law Constant 1.3 x 10-3 atmm3/mol (Pankow and Rosen, 1988) 0.793 x 10-3 atmm3/mol at 20 °C, 1.87 at 40 °C (static headspace-GC, Kim et al., 2003)
Exposure limits ACGIH TLV: TWA 1 ppm for cis and trans isomers (adopted).
Stability Stable. Flammable. Incompatible with strong oxidizing agents, aluminium, aluminium alloys, some metal salts and halogens. May be light sensitive.
Major Application environmental
InChI 1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
InChIKey UOORRWUZONOOLO-OWOJBTEDSA-N
SMILES [H]\C(Cl)=C(\[H])CCl
CAS DataBase Reference 10061-02-6(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 21UG87ODPI
NIST Chemistry Reference 1-Propene, 1,3-dichloro-, (E)-(10061-02-6)
EPA Substance Registry System trans-1,3-Dichloropropene (10061-02-6)
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Flame (GHS02)Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
Signal wordDanger
Hazard statements H226-H301+H311-H304-H315-H317-H319-H332-H335-H351-H410
Precautionary statements P210-P273-P280-P301+P310-P303+P361+P353-P331
Hazard Codes  T,N,Xn,F
Risk Statements  10-20/21-25-36/37/38-43-50/53-40-22-39/23/24/25-23/24/25-11-52/53-65-24/25-20
Safety Statements  36/37-45-60-61-16-7
RIDADR  UN 1992 3/PG 3
WGK Germany  3
RTECS  UC8310000
TSCA  TSCA listed
HazardClass  3.2
PackingGroup  III
HS Code  29032990
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Acute Tox. 4 Inhalation
Aquatic Acute 1
Aquatic Chronic 1
Asp. Tox. 1
Carc. 2
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Hazardous Substances Data 10061-02-6(Hazardous Substances Data)
Toxicity LC50 (96-hour) for bluegill sunfish 7.1 mg/L and rainbow trout 7.1 mg/L (Worthing and Hance, 1991); acute oral LD50 of the isomeric mixture for male and female rats 713 and 470 mg/kg, respectively (Verschueren, 1983).
NFPA 704:
3
2 0

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