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29560-84-7

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Basic Information
CAS No.: 29560-84-7
Name: 3-chloroallyl alcohol
Article Data: 8
Molecular Structure:
Molecular Structure of 29560-84-7 (3-chloroallyl alcohol)
Formula: C3H5 Cl O
Molecular Weight: 92.5251
Synonyms: 3-Chloroallylalcohol
Density: 1.148g/cm3
Boiling Point: 126.7°C at 760 mmHg
Flash Point: 30.4°C
Safety: Poison by ingestion and skin contact. Moderately toxic by inhalation. A severe skin irritant. When heated to decomposition it emits toxic fumes of Cl−. See also β-CHLORO ALLYL ALCOHOL, ALLYL COMPOUNDS, CHLORIDES, and ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S..
PSA: 20.23000
LogP: 0.73120
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Chemistry

Product Name: 3-Chloroallyl alcohol (CAS NO.29560-84-7)


Molecular Formula: C3H5ClO
Molecular Weight: 92.53g/mol
Mol File: 29560-84-7.mol
Boiling point: 126.7 °C at 760 mmHg
Flash Point: 30.4 °C
Density: 1.148 g/cm3
Surface Tension: 33.5 dyne/cm
Enthalpy of Vaporization: 42.48 kJ/mol
Vapour Pressure: 5.29 mmHg at 25°C
XLogP3-AA: 0.5
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of 3-Chloroallyl alcohol (CAS NO.29560-84-7):
  PAC Name: 3-chloroprop-2-en-1-ol
  Canonical SMILES: C(C=CCl)O
  InChI: InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2 
  InChIKey: HJGHXDNIPAWLLE-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 500 mg SEV

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
2.    

orl-rat LD50:102 mg/kg

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
3.    

ihl-rat LC50:370 ppm/1H

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
4.    

orl-mus LD50:175 mg/kg

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
5.    

ihl-mus LC50:540 ppm/1H

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
6.    

skn-mus LDLo:170 mg/kg

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)

Safety Profile

Poison by ingestion and skin contact. Moderately toxic by inhalation. A severe skin irritant. When heated to decomposition it emits toxic fumes of Cl−. See also β-CHLORO ALLYL ALCOHOL, ALLYL COMPOUNDS, CHLORIDES, and ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S..

Specification

 3-Chloroallyl alcohol ,its CAS NO. is 29560-84-7,the synonyms is 3-Chloro-2-propen-1-ol ; pi-Chloro allyl alcohol ; 2-Propen-1-ol, 3-chloro- .