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3-Chloro-1,2-propanediol

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Name

3-Chloro-1,2-propanediol

EINECS 202-492-4
CAS No. 96-24-2 Density 1.322 g/cm3
PSA 40.46000 LogP -0.42160
Solubility Soluble in water Melting Point -40 °C
Formula C3H7ClO2 Boiling Point 213 °C at 760 mmHg
Molecular Weight 110.54 Flash Point 113.3 °C
Transport Information UN 2689 6.1/PG 3 Appearance Clear pale yellow liquid
Safety 53-26-36-39-45-38-36/37/39 Risk Codes 60-21-23/25-41-39-36-23/24/25
Molecular Structure Molecular Structure of 96-24-2 (3-Chloro-1,2-propanediol) Hazard Symbols ToxicT
Synonyms

(RS)-3-Chloro-1,2-propanediol;(RS)-a-Chlorohydrin;1,2-Dihydroxy-3-chloropropane;1-Chloro-1-deoxyglycerol;1-Chloro-2,3-dihydroxypropane;1-Chloro-2,3-propanediol;3-Chloro-1,2-propanediol;3-Chloro-1,2-propylene glycol;3-Chloropropanediol;3-Monochloro-1,2-propanediol;Chlorohydrin;Chloropropanediol;Ekorod A;Epibloc;Glycerin epichlorohydrin;Glycerinmonochlorohydrin;Glycerol 3-chlorohydrin;Glycerol monochlorohydrin;Glycerol a-chlorohydrin;Glyceryl chloride;Glyceryl a-chlorohydrin;U 5897;a-Chlorohydrin;a-Monochlorohydrin;

Article Data 191

3-Chloro-1,2-propanediol Specification

The alpha-Chlorohydrin, with the CAS registry number 96-24-2, is also known as 3-Chloro-1,2-propanediol. Its EINECS registry number is 202-492-4. Its IUPAC name is called 3-chloropropane-1,2-diol. This chemical's classification codes are Agricultural Chemical; Chemosterilants; Drug / Therapeutic Agent; Experimental pesticide; Insect attractant, repellent and chemosterilant; Mutation data; Pesticides; Reproductive Effect; Rodenticide; Skin / Eye Irritant; Tumor data. This chemical not only can be used in organic synthesis, drug intermediates but also for the preparation of plasticizers, surfactants, dyes, drugs and Ganyou Yan biology. In addition, it can also be used to lower the freezing point of TNT.

Physical properties of alpha-Chlorohydrin: (1)ACD/LogP: -0.76; (2)ACD/LogD (pH 5.5): -0.76; (3)ACD/LogD (pH 7.4): -0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.21; (7)ACD/KOC (pH 7.4): 9.21; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.473; (12)Molar Refractivity: 23.82 cm3; (13)Molar Volume: 84.8 cm3; (14)Surface Tension: 45.8 dyne/cm; (15)Density: 1.303 g/cm3; (16)Flash Point: 113.3 °C; (17)Enthalpy of Vaporization: 52.26 kJ/mol; (18)Boiling Point: 213 °C at 760 mmHg; (19)Vapour Pressure: 0.0374 mmHg at 25°C.

Preparation: this chemical can be prepared by glycerin and acetic acid. This reaction will need dry hydrogen chloride gas.

 

Uses of alpha-Chlorohydrin: it can be used to produce 1,2-diacetoxy-3-chloro-propane. This reaction will need reagent concentrated sulfuric acid.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It is toxic by inhalation, in contact with skin and if swallowed. Besides, this chemical may cause sensitisation by inhalation. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(CCl)O)O
(2)InChI: InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
(3)InChIKey: SSZWWUDQMAHNAQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 23700ug/kg (23.7mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
mammal (species unspecified) LD50 oral 82mg/kg (82mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: GENERAL ANESTHETIC
Annals of Applied Biology. Vol. 113, Pg. 307, 1988.
mouse LC50 inhalation > 90ppm/4H (90ppm) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
AMA Archives of Industrial Health. Vol. 14, Pg. 250, 1956.
mouse LD50 intraperitoneal 73mg/kg (73mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 116, 1975.
mouse LD50 oral 160mg/kg (160mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
AMA Archives of Industrial Health. Vol. 14, Pg. 250, 1956.
rabbit LD50 skin 800uL/kg (0.8mL/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0543607,
rat LCLo inhalation 125ppm/4H (125ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.
rat LD50 oral 26mg/kg (26mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) International Pest Control. Vol. 24, Pg. 20, 1982.
rat LD50 skin 1057mg/kg (1057mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0543607,
rat LDLo intraperitoneal 10mg/kg (10mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 9, 1953.

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