2-Chloro-2-propen-1-ol
Names
[ CAS No. ]:
5976-47-6
[ Name ]:
2-Chloro-2-propen-1-ol
[Synonym ]:
2-Propen-1-ol,2-chloro
2-Chloroallyl alcohol
2-chloro-2-propene-1-ol
2-Chloropropenol
2-chloroprop-1-en-3-ol
2-Chloro-2-propen-1-ol
MFCD00004701
2-chloro-1-propen-3-ol
2-Chloroprop-2-enol
2-Chloro-2-propenol
Chemical & Physical Properties
[ Density]:
1.162 g/mL at 25ºC(lit.)
[ Boiling Point ]:
133-134ºC(lit.)
[ Molecular Formula ]:
C3H5ClO
[ Molecular Weight ]:
92.52420
[ Flash Point ]:
130 °F
[ Exact Mass ]:
92.00290
[ PSA ]:
20.23000
[ LogP ]:
0.73120
[ Index of Refraction ]:
n20/D 1.459(lit.)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UD4725000
- CHEMICAL NAME :
- 2-Propen-1-ol, 2-chloro-
- CAS REGISTRY NUMBER :
- 5976-47-6
- BEILSTEIN REFERENCE NO. :
- 1361492
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C3-H5-Cl-O
- MOLECULAR WEIGHT :
- 92.53
- WISWESSER LINE NOTATION :
- Q1YGU1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 63 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 198 ppm/6H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 25 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA
- TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 1 nmol/plate
- REFERENCE :
- JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 28,880,1980
Safety Information
[ Symbol ]:
GHS02, GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H226-H302-H312-H332
[ Precautionary Statements ]:
P280
[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
Xn,Xi
[ Risk Phrases ]:
10-20/21/22
[ Safety Phrases ]:
S16;S26;S27;S36/S37/S39
[ RIDADR ]:
UN 2920 8/PG 2
[ WGK Germany ]:
3
[ RTECS ]:
UD4725000
[ Packaging Group ]:
III
[ Hazard Class ]:
3.2
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Articles
Appl. Geochem. 13(6) , 779-85, (1998)
Derivatives of phosphorus acids and 2-chloro-2-propen-1-ol. Arbuzov BA, et al.
Russ. Chem. Bull. 16(6) , 1233-38, (1967)
Asymmetric synthesis of conformationally constrained fingolimod analogues--discovery of an orally active sphingosine 1-phosphate receptor type-1 agonist and receptor type-3 antagonist.
J. Med. Chem. 50(25) , 6428-35, (2007)
Compound 1 (FTY720, Fingolimod) represents a new generation of immunosuppressant that modulates lymphocyte trafficking by interacting with the S1P(1) receptor. Compound 1 also provides a template mole...