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107-05-1

Basic Information
CAS No.: 107-05-1
Name: 1-Propene, 3-chloro-
Molecular Structure:
Molecular Structure of 107-05-1 (1-Propene, 3-chloro-)
Formula: C3H5Cl
Molecular Weight: 76.49
Synonyms: Propene,3-chloro- (8CI);1-Chloro-2-propene;2-Propenyl chloride;3-Chloro-1-propene;3-Chloropropene;3-Chloropropylene;NSC 20939;
EINECS: 203-457-6
Density: 0.939 g/cm3
Melting Point: -136 °C
Boiling Point: 41.6 °C at 760 mmHg
Flash Point: ?20°F
Solubility: 3.6 g/L (20 °C) in water
Appearance: colourless, light yellow or amber liquid
Hazard Symbols: FlammableF,HarmfulXn,DangerousN
Risk Codes: 45-46-11-20/21/22-36/37/38-48/20-50-68-40-39/23/24/25-23/24/25
Safety: 53-26-36/37-45-61-46-25-16-7
Transport Information: UN 1100 3/PG 1
PSA: 0.00000
LogP: 1.41120
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  • Allyl chloride

  • Casno:

    107-05-1

    Allyl chloride

    Min.Order: 25 Kilogram

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    Stability Stable, but reacts vigorously or violently with a wide variety of materials. Highly flammable. Incompatible with strong oxidizing agents, acids, amines, peroxides, chlorides of iron and aluminium, BF3, aromatic hydrocarbons, Lewis aci

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  • 3-chloropropene; allyl chloride

  • Casno:

    107-05-1

    3-chloropropene; allyl chloride

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    allyl chloride CAS#:107-05-1 tructural formula:C3H5Cl Physical property: nature colorless flammable liquids, corrosive and irritant scent. The relative density of 0.9382 (20 / 4 ° C). Solidification point -134.5 ° C The boiling po

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  • Amadis Chemical offer CAS#107-05-1;CAT#A801564

  • Casno:

    107-05-1

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  • 1-Propene, 3-chloro- 107-05-1

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    107-05-1

    1-Propene, 3-chloro- 107-05-1

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    high purity lowest priceAppearance:solid or liquid Storage:in sealed air resistant place Package:Foil bag; Drum; Plastic bottle Application:Pharma;Industry;Agricultural Transportation:by sea or air Port:any port in China

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  • High quality Allyl chloride supplier in China CAS NO.107-05-1

  • Casno:

    107-05-1

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  • 1-Propene, 3-chloro-

  • Casno:

    107-05-1

    1-Propene, 3-chloro-

    Min.Order: 1 Gram

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Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 36 (1985),p. 39; NCI Carcinogenesis Bioassay (gavage); Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program. Community Right-To-Know List.

Standards and Recommendations

OSHA PEL: TWA 1 ppm; STEL 2 ppm
ACGIH TLV: TWA 1 ppm; STEL 2 ppm; Animal Carcinogen
DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans
NIOSH REL: TWA 1 ppm; CL 3 ppm/15M
DOT Classification:  3; Label: Flammable Liquid, Poison

Analytical Methods

For occupational chemical analysis use NIOSH: Allyl Chloride, 1000.

Specification

The IUPAC name of Allyl chloride is 3-chloroprop-1-ene. With the CAS registry number 107-05-1, it is also named as 1-Chloro-2-propene. The product's categories are Pharmaceutical Intermediates; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; omega-Unsaturated Halides. It is colourless, light yellow or amber liquid with an unpleasant smell. And this chemical is slightly soluble in water, miscible with  ethanol, chloroform, ethyl ether and petroleum ether. Additionally, Allyl chloride should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.51; (6)ACD/BCF (pH 7.4): 10.51; (7)ACD/KOC (pH 5.5): 187.45; (8)ACD/KOC (pH 7.4): 187.45; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.4; (13)Molar Refractivity: 20.52 cm3; (14)Molar Volume: 84.5 cm3; (15)Polarizability: 8.13×10-24 cm3; (16)Surface Tension: 20 dyne/cm; (17)Enthalpy of Vaporization: 27.41 kJ/mol; (18)Vapour Pressure: 417 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 76.007978; (21)MonoIsotopic Mass: 76.007978; (22)Heavy Atom Count: 4; (23)Complexity: 17.2.

Preparation of Allyl chloride: It can be obtained by high temperature chlorination of propylene. The reaction equation is CH3CH=CH2+Cl2→ClCH2CH=CH2+HCl.

Uses of Allyl chloride: It is used in organic synthesis, pesticide, paint, synthetic resin and also used as adhesives, lubricants, etc. And it also can react with N,N-diethyl-2-o-tolylamino-benzamide to get 2-(allyl-o-tolyl-amino)-N,N-diethyl-benzamide. This reaction needs reagent NaH and solvent dimethylformamide. The yield is 85%. 

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, harmful by inhalation, in contact with skin and irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) If swallowed, seek medical advice immediately and show this container or label.

People can use the following data to convert to the molecule structure. 
1. Smiles:C(CCl)=C
2. InChI:InChI=1/C3H5Cl/c1-2-3-4/h2H,1,3H2

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 10500mg/m3/2H (10500mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Ecotoxicology and Environmental Safety. Vol. 6, Pg. 19, 1982.
 
guinea pig LC50 inhalation 5800mg/m3/2H (5800mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Ecotoxicology and Environmental Safety. Vol. 6, Pg. 19, 1982.
 
human LCLo inhalation 3000ppm (3000ppm)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 86, 1969.
mouse LC50 inhalation 11500mg/m3/2H (11500mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Ecotoxicology and Environmental Safety. Vol. 6, Pg. 19, 1982.
 
mouse LD50 intraperitoneal 155mg/kg (155mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 1, 1961.
mouse LD50 oral 425mg/kg (425mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Ecotoxicology and Environmental Safety. Vol. 6, Pg. 19, 1982.
 
rabbit LCLo inhalation 22500mg/m3/2H (22500mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Ecotoxicology and Environmental Safety. Vol. 6, Pg. 19, 1982.
 
rabbit LD50 skin 2066mg/kg (2066mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.
rat LC50 inhalation 11gm/m3/2H (11000mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM DUODENUM
Ecotoxicology and Environmental Safety. Vol. 6, Pg. 19, 1982.
 
rat LD50 oral 460mg/kg (460mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Ecotoxicology and Environmental Safety. Vol. 6, Pg. 19, 1982.