Allyl-chloride: 0 Products found
Name
Allyl-chloride
EINECS
203-457-6
CAS No.
107-05-1
Density
0.939 g/cm3
Solubility
3.6 g/L (20 °C) in water
Melting Point
-136 °C
Formula
C3H5Cl
Boiling Point
41.6 °C at 760 mmHg
Molecular Weight
76.49
Flash Point
?20°F
Transport Information
UN 1100 3/PG 1
Appearance
colourless, light yellow or amber liquid
Safety
53-26-36/37-45-61-46-25-16-7
Risk Codes
45-46-11-20/21/22-36/37/38-48/20-50-68-40-39/23/24/25-23/24/25
Molecular Structure
Hazard Symbols
Synonyms
Propene,3-chloro- (8CI);1-Chloro-2-propene;2-Propenyl chloride;3-Chloro-1-propene;3-Chloropropene;3-Chloropropylene;NSC 20939;

History

Formaldehyde was first reported by the Russian chemist Aleksandr Butlerov (1828-1886), but it was conclusively identified by August Wilhelm von Hofmann.

Consensus

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

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

AnalyticalMethods

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

Others

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.