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3-Chloro-1-propanol
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Name

3-Chloro-1-propanol

 EINECS 210-992-9
CAS No. 627-30-5 Density 1.087 g/cm3
PSA 20.23000 LogP 0.60760
Solubility 300 g/L (20 °C) in water Melting Point -20 °C
Formula C3H7ClO Boiling Point 165 °C at 760 mmHg
Molecular Weight 94.541 Flash Point 73.3 °C
Transport Information UN 2849 6.1/PG 3 Appearance colourless liquid
Safety 26-36-36/37/39 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 627-30-5 (3-Chloro-1-propanol) Hazard Symbols HarmfulXn
Synonyms

1-Chloro-3-hydroxypropane;1-Chloro-3-propanol;3-Chloro-1-hydroxypropane;1-Propanol,3-chloro-;3-Chloropropanol;3-Chloropropyl alcohol;NSC 60190;Trimethylenechlorohydrin;

Article Data 56

3-Chloro-1-propanol Synthetic route

504-63-2

trimethyleneglycol

627-30-5

1-chloro-3-hydroxypropane

Conditions
ConditionsYield
With hydrogenchloride; benzenesulfonic acid In water at 50 - 90℃; for 13h; Large scale;96%
With hydrogenchloride at 150 - 170℃;60%
With disulfur dichloride at 100℃;
625-36-5

2-chloropropionyl chloride

627-30-5

1-chloro-3-hydroxypropane

Conditions
ConditionsYield
With sodium tetrahydroborate; lithium perchlorate In acetonitrile for 0.666667h;87%
89031-82-3

1-(t-Butyldimethylsilyloxy)-3-chloro-propane

627-30-5

1-chloro-3-hydroxypropane

Conditions
ConditionsYield
With zinc tetrafluoroborate In water for 16h; Ambient temperature;85%
623-71-2

ethyl 3-chloropropanoate

627-30-5

1-chloro-3-hydroxypropane

Conditions
ConditionsYield
With lithium borohydride; Trimethyl borate In diethyl ether for 0.5h; Heating;84%
With lithium borohydride; Trimethyl borate In diethyl ether for 0.5h; Heating;84%
With Ν,Ν-dimethylethylamine alane In tetrahydrofuran; toluene at 0℃; for 0.25h;99 % Chromat.
With lithium aluminium tetrahydride In diethyl ether 1.) 0 deg C, 30 min, 2.) 3 h, room temp.;
504-63-2

trimethyleneglycol

A

142-28-9

1,3-Dichloropropane

B

627-30-5

1-chloro-3-hydroxypropane

Conditions
ConditionsYield
With tetrachloromethane; triphenylphosphine In acetonitrile Product distribution; Mechanism;A 16%
B 75%
With hydrogenchloride at 100℃;
With hydrogenchloride
With tert-butylhypochlorite; triphenylphosphine In chloroform Product distribution; 1.) -70 deg C, 2.) RT, 3.) reflux, 24 h;
56-23-5

tetrachloromethane

504-63-2

trimethyleneglycol

A

2-(3,3,3-trichloropropyl)-1,3-dioxane

B

627-30-5

1-chloro-3-hydroxypropane

Conditions
ConditionsYield
hexacarbonyl molybdenum at 140℃; for 6h;A 27%
B 73%
503-30-0

trimethylene oxide

463-72-9

carbamic chloride

627-30-5

1-chloro-3-hydroxypropane

Conditions
ConditionsYield
With diethyl ether
503-30-0

trimethylene oxide

677-22-5

tert-butylmagnesium chloride

627-30-5

1-chloro-3-hydroxypropane

Conditions
ConditionsYield
With diethyl ether
50-00-0

formaldehyd

74-85-1

ethene

627-30-5

1-chloro-3-hydroxypropane

Conditions
ConditionsYield
With hydrogenchloride; water; zinc(II) chloride under 44130.5 - 51485.6 Torr;
127-08-2

potassium acetate

64-19-7

acetic acid

109-70-6

1,3-chlorobromopropane

A

628-66-0

1,3-diacetoxypropane

B

628-09-1

3-Chloropropyl acetate

C

592-33-6

3-bromopropyl acetate

D

627-30-5

1-chloro-3-hydroxypropane

...Expand

3-Chloro-1-propanol Chemical Properties

Molecule structure of 3-Chloro-1-propanol (CAS NO.627-30-5):

IUPAC Name: 3-Chloropropan-1-ol 
Molecular Weight: 94.54008 g/mol
Molecular Formula: C3H7ClO 
Density: 1.087 g/cm3
Melting Point: -20 °C
Boiling Point: 165 °C at 760 mmHg 
Flash Point: 73.3 °C
Index of Refraction: 1.427
Molar Refractivity: 22.33 cm3
Molar Volume: 86.9 cm3 
Surface Tension: 31.9 dyne/cm  
Enthalpy of Vaporization: 46.75 kJ/mol
Vapour Pressure: 0.643 mmHg at 25 °C 
Storage Temp.: 0-6 °C
Water Solubility: 300 g/L (20 °C)
XLogP3: 0.5
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 94.018543
MonoIsotopic Mass: 94.018543
Topological Polar Surface Area: 20.2
Heavy Atom Count: 5
Canonical SMILES: C(CO)CCl
InChI: InChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2
InChIKey: LAMUXTNQCICZQX-UHFFFAOYSA-N
EINECS: 210-992-9
Product Categories: Cyclomethycaine; Piperocaine; omega-Chloroalkanols; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides

3-Chloro-1-propanol Uses

 3-Chloro-1-propanol (CAS NO.627-30-5) is a solvent used for organic synthesis. It is also an important intermediate in pharmaceutical synthesis.

3-Chloro-1-propanol Production

 3-Chloro-1-propanol is synthesized from ethylene, formaldehyde reaction with hydrogen chloride.

3-Chloro-1-propanol Toxicity Data With Reference

1.    

mma-sat 33 µg/plate

     ENMUDM    Environmental Mutagenesis. 9 (Suppl 9)(1987),1.
2.    

orl-mus LD50:2300 mg/kg

     ZHYGAM    Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. 26 (1980),17.

3-Chloro-1-propanol Consensus Reports

Reported in EPA TSCA Inventory.

3-Chloro-1-propanol Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22-36/37/38 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 2849 6.1/PG 3
WGK Germany: 3
RTECS: UA8930000
HazardClass: 6.1
PackingGroup: III
HS Code: 29055910

3-Chloro-1-propanol Standards and Recommendations

DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

3-Chloro-1-propanol Specification

 3-Chloro-1-propanol (CAS NO.627-30-5) is also named as 1-Chloro-3-hydroxypropane ; 3-Chloropropanol ; 3-Chlorpropan-1-ol ; 3-Chlorpropan-1-ol [German] ; 3-Choro-1-propanol ; 4-01-00-01441 (Beilstein Handbook Reference) ; AI3-61821 ; BRN 0773655 ; CCRIS 4767 ; NSC 60190 ; Trimethylene chlorohydrin . 3-Chloro-1-propanol (CAS NO.627-30-5) is colourless liquid with a mild odor. It is toxic by ingestion and inhalation . 3-Chloro-1-propanol is moderately soluble in water. It may be sensitive to prolonged exposure to light. 3-Chloro-1-propanol may react with oxidizing agents. Inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. It may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.

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