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627-30-5

627-30-5 Structure

627-30-5 Structure
IdentificationMore
[Name]

3-Chloro-1-propanol
[CAS]

627-30-5
[Synonyms]

1-CHLORO-3-HYDROXYPROPANE
3-CHLORO-1-PROPANOL
3-CHLOROPROPAN-1-OL
LABOTEST-BB LT01690209
TRIMETHYLENE CHLOROHYDRIN
1-Chloro-3-propanol
3-Chloro-1-hydroxypropane
3-chloro-1-propano
3-Chloropropane-1-ol
3-Chloropropanol
3-Chloropropanol-1
3-Chlorpropan-1-ol
Propanol, 3-chloro-
Chloropropanol,98%
1-CHLORO-3-HYDROXYPROPANE, 3-CHLORO-1-PROPANOL, TRIMETHYLENE CHLOROHYDRIN
Chloro-1-propanol
3-Chloro-1-propanol,98+%
3-Chloro-1-propyl alcohol
1-Chloro-3-hydroxypropane, stabilized, 98%
1-Propanol, 3-chloro-
[EINECS(EC#)]

210-992-9
[Molecular Formula]

C3H7ClO
[MDL Number]

MFCD00002943
[Molecular Weight]

94.54
[MOL File]

627-30-5.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless to pale-yellow liquid; characteristic odor. Soluble in water, alcohols, and ethers; insoluble in hydrocarbons. Combustible.
[Melting point ]

-20 °C
[Boiling point ]

160-162 °C(lit.)
[density ]

1.131 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.445(lit.)
[Fp ]

164 °F
[storage temp. ]

0-6°C
[solubility ]

50g/l (slow decomposition)
[form ]

Liquid
[pka]

14.73±0.10(Predicted)
[color ]

Clear colorless to yellow
[Specific Gravity]

1.14
[PH]

3-4 (100g/l, H2O, 20℃)
[Stability:]

Stability Stable, but light-sensitive. Combustible. Incompatible with strong oxidizing agents.
[Water Solubility ]

300 g/L (20 ºC)
[BRN ]

773655
[Henry's Law Constant]

1.3×101 mol/(m3Pa) at 25℃, Ebert et al. (2023)
[Exposure limits]

No exposure limit is set. A TLV-TWA air value of 100 ppm (approximately 400 mg/m3) is suggested for this compound.
[InChI]

1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2
[InChIKey]

LAMUXTNQCICZQX-UHFFFAOYSA-N
[SMILES]

OCCCCl
[CAS DataBase Reference]

627-30-5(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Propanol, 3-chloro-(627-30-5)
[EPA Substance Registry System]

627-30-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29055910
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Safety Profile]

Moderately toxic by ingestion. Mutation data reported.
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

9-Vinylanthracene-->9-(3-(cis-3 5-Dimethyl-1-piperazinyl)--->3-Chloropropionic acid-->1,5-Diazabicyclo[4.3.0]non-5-ene-->Propylene carbonate-->4-(3-Morpholinopropoxy)-3,5-dichlorobenzenamine-->Mivacurium chloride-->Trimethylene oxide-->Glycidyl methyl ether-->3-Chloropropyl acetate-->1-Chloro-2-propanol-->1-Chloro-3-(tolene-p-sulphonyloxy) propane-->3-(3-Hydroxy-propylamino)-propan-1-ol-->3-Iodopropan-1-ol-->1-(3-Hydroxypropyl)-4-methylpiperazine-->3-Fluoropropan-1-ol-->3-Phenoxy-1-propanol-->1-(3-Hydroxypropyl)-1H-imidazole-->Propylene glycol n-butyl ether-->3-(2-methyl-1H-imidazol-1-yl)propan-1-ol(SALTDATA: HCl)
Hazard InformationBack Directory
[General Description]

A colorless liquid with a mild odor. Slightly denser than water. Toxic by ingestion and inhalation . Flash point 270°F. Used to make plastics, resins and other chemicals.
[Reactivity Profile]

3-CHLOROPROPANOL-1(627-30-5) may be sensitive to prolonged exposure to light. This compound may react with oxidizing agents. .
[Air & Water Reactions]

Moderately soluble in water.
[Health Hazard]

TOXIC; 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.
[Fire Hazard]

Combustible material: 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.
[Chemical Properties]

Colorless to pale-yellow liquid; characteristic odor. Soluble in water, alcohols, and ethers; insoluble in hydrocarbons. Combustible.
[Uses]

Chloropropanols have mutagenic and carcinogenic properties. The 3-monochloropropanol (3-MCPD) is the main chloropropanol found in hydrolyzates of vegetable protein (HVP) made by acid hydrolysis.
[Uses]

Trimethylene chlorohydrin is used in organicsynthesis to produce cyclopropane andtrimethylene oxide. It is an intermediate inthe synthesis of pharmaceuticals, agrochemicals, antiseptic agents, and dyes.
[Preparation]

3-Chloro-1-propanol is synthesized by the reaction of 1, 3-propanediol and hydrochloric acid, using benzene sulfonic acid as the catalyst.
Reaction: 250 g of trimethylene glycol are shaken with 450 g of sulfur chloride, the mixture becoming warm, sulfur dioxide being rapidly evolved, and sulfur deposited. This reaction continues for 1 hours without heating, whereafter the mixture is heated for a further 6 hours on the water-bath and then for 30 min, over a free flame. When no more sulfur dioxide is evolved, the mixture is allowed to cool, then extracted several times with ether. The sulfur is washed with ether, and the united ethereal layers are shaken with sodium carbonate solution to remove sulfur dioxide, dried over sodium sulfate, and freed from ether. The residue is fractionated and the fraction of b.p. 140-180° C is redistilled, giving 60% (160 g) of 3-chloro-1-propanol, b.p. 160-164°C/760 mm, 60-64° C/10 mm.
J. Amer. Chem. Soc, 38, 2481 (1916)
J. Chem. Soc, 1928, 2439
[Synthesis Reference(s)]

Journal of the American Chemical Society, 90, p. 2927, 1968 DOI: 10.1021/ja01013a033
The Journal of Organic Chemistry, 55, p. 2968, 1990 DOI: 10.1021/jo00296a078
Organic Syntheses, Coll. Vol. 1, p. 533, 1941
[Toxics Screening Level]

The ITSL for 3-chloro-1-propanol has been changed from 0.04 μg/m3 to 0.1 μg/m3 based on an annual averaging time.
[Waste Disposal]

Trimethylene chlorohydrin is burned in achemical incinerator equipped with an afterburner and scrubber.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Chloro-3-hydroxypropane(627-30-5).msds
Spectrum DetailBack Directory
[Spectrum Detail]

3-Chloro-1-propanol(627-30-5)MS
3-Chloro-1-propanol(627-30-5)1HNMR
3-Chloro-1-propanol(627-30-5)13CNMR
3-Chloro-1-propanol(627-30-5)IR1
3-Chloro-1-propanol(627-30-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Chloro-3-hydroxypropane, stabilized, 98%(627-30-5)
[Alfa Aesar]

3-Chloro-1-propanol, 98%(627-30-5)
[Sigma Aldrich]

627-30-5(sigmaaldrich)
[TCI AMERICA]

3-Chloro-1-propanol,>98.0%(GC)(627-30-5)
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