ChemicalBook--->CAS DataBase List--->563-47-3

563-47-3

563-47-3 Structure

563-47-3 Structure
IdentificationMore
[Name]

3-Chloro-2-methylpropene
[CAS]

563-47-3
[Synonyms]

1-CHLORO-2-METHYL-2-PROPENE
2-METHYL-2-PROPENYL CHLORIDE
2-METHYLALLYL CHLORIDE
3-CHLORO-2-METHYL-1-PROPENE
3-CHLORO-2-METHYLPROPENE
3-CHLOROISOBUTENE
3-CHLOROISOBUTYLENE
AKOS BBS-00004062
BETA-METHALLYL CHLORIDE
Isobutenyl chloride
METHALLYL CHLORIDE
Methylallyl chloride
1-propene,3-chloro-2-methyl-
2-(Chloromethyl)-1-propene
2-methallylchloride
2-Methyl-3-chloro-1-propene
2-Methyl-3-chloropropene
2-Methyl-allylchlorid
3-Chlor-2-methyl-1-propen
3-Chlor-2-methyl-prop-1-en
[EINECS(EC#)]

209-251-2
[Molecular Formula]

C4H7Cl
[MDL Number]

MFCD00000953
[Molecular Weight]

90.55
[MOL File]

563-47-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear liquid
[Melting point ]

-80 °C (lit.)
[Boiling point ]

71-72 °C (lit.)
[density ]

0.925 g/mL at 20 °C(lit.)
[vapor density ]

3.12 (vs air)
[vapor pressure ]

102 mm Hg ( 20 °C)
[refractive index ]

n20/D 1.427(lit.)
[Fp ]

9 °F
[storage temp. ]

Refrigerator (+4°C) + Flammables area
[solubility ]

H2O: insoluble
[form ]

Liquid
[color ]

Clear
[explosive limit]

2.2-10.4%(V)
[Water Solubility ]

0.5 g/L (20 ºC)
[Merck ]

14,2148
[BRN ]

878160
[Henry's Law Constant]

1.1×10-3 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
[InChI]

1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3
[InChIKey]

OHXAOPZTJOUYKM-UHFFFAOYSA-N
[SMILES]

CC(=C)CCl
[Uses]

In organic synthesis.
[CAS DataBase Reference]

563-47-3(CAS DataBase Reference)
[IARC]

2B (Vol. 63, 115) 2018
[NIST Chemistry Reference]

1-Propene, 3-chloro-2-methyl-(563-47-3)
[EPA Substance Registry System]

563-47-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)Exclamation Mark (GHS07)Environment (GHS09)
GHS02,GHS05,GHS07,GHS09
[Signal word ]

Danger
[Hazard statements ]

H225-H302+H332-H314-H317-H411
[Precautionary statements ]

P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

F,C,N
[Risk Statements ]

R11:Highly Flammable.
R20/22:Harmful by inhalation and if swallowed .
R34:Causes burns.
R43:May cause sensitization by skin contact.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S29:Do not empty into drains .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 2554 3/PG 2
[WGK Germany ]

2
[RTECS ]

UC8050000
[Autoignition Temperature]

899 °F
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29032900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Dam. 1
Flam. Liq. 2
Skin Corr. 1B
Skin Sens. 1
[Safety Profile]

Confirmed carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Experimental reproductive effects. An irritant. Human mutation data reported. Very dangerous fire hazard when exposed to heat, flame, or oxidizers. Moderately explosive when exposed to heat or flame. Can react vigorously with oxidizing materials. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits toxic fumes of Cl-. See also CHLORINATED HYDROCARBONS, ALIPHATIC; and ALLYL COMPOUNDS.
[Hazardous Substances Data]

563-47-3(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Oleic acid-->Isobutylene
[Preparation Products]

Carbofuran-->2,3-Dihydro-2,2-dimethyl-7-benzofuranol-->2,2,4,6,7-Pentamethyldihydrobenzofuran-5-sulfonyl chloride-->2,2,4,6,7-Pentamethyldihydrobenzofuran-->Fenbutatin oxide-->3-METHYL-3-BUTEN-1-OL-->BISPHENOL A DIMETHACRYLATE-->2-[(2-METHYL-2-PROPENYL)OXY]-PHENOL-->Neophyl chloride-->2-METHYL-2-PROPENE-1-SULFONIC ACID SODIUM SALT-->1,2-DICHLOROISOBUTANE-->2,2,4-Trimethyl-1,3-pentanediol-->ISOBUTYLCYCLOBUTANE-->2-METHYL-1,4-PENTADIENE-->5-BROMO-3,3-DIMETHYL-2,3-DIHYDROBENZOFURAN-->2,5-DIMETHYL-1,5-HEXADIENE-->ISOBUTYRALDEHYDE DIETHYL ACETAL-->[(2-methyl-2-propenyl)oxy]phenyl]-
Hazard InformationBack Directory
[General Description]

A colorless to straw-colored liquid with a sharp penetrating odor. Less dense than water and insoluble in water. Flash point below 0°F. May be toxic by ingestion. Irritating to skin and eyes. Used to make plastics and pharmaceuticals.
[Reactivity Profile]

METHYLALLYL CHLORIDE is sensitive to light. This chemical can react vigorously with oxidizers. METHYLALLYL CHLORIDE is incompatible with strong bases. METHYLALLYL CHLORIDE may react with water at elevated temperatures. .
[Air & Water Reactions]

Highly flammable. METHYLALLYL CHLORIDE(563-47-3) may react with water at elevated temperatures. . Insoluble in water.
[Hazard]

Irritant; poison; anesthetic; questionable carcinogen; toxic.
[Health Hazard]

Inhalation causes irritation of nose and throat. Contact of vapor or liquid with eyes causes irritation. Liquid irritates skin. Ingestion causes irritation of mouth and stomach.
[Chemical Properties]

clear liquid
[Definition]

ChEBI: 3-Chloro-2-methylpropene is an organochlorine compound.
[Biological Functions]

MAC is a valuable index for clinical anesthesia, but it is seldom employed without taking other factors into consideration. For example, inhibiting movement in only 50% of patients is not acceptable. Consequently, if an inhalational agent were being used alone—that is, without the administration of other anesthetics or analgesic drugs—the anesthesiologist would employ a multiple of its MAC value to ensure immobility.MAC is frequently multiplied by a factor of 1.3 to achieve nearly 100% clinical efficacy. On the other hand, useful clinical results may be achieved with doses of anesthetics below MAC levels. For example, mild analgesia and amnesia often occur with doses of inhalational agents that are near 0.5 MAC. In this state, it may even be possible to communicate with patients intraoperatively, while their recall is limited.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 46, p. 824, 1981 DOI: 10.1021/jo00317a041
[Carcinogenicity]

3-Chloro-2-methylpropene is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.
[Toxics Screening Level]

The initial risk screening level (IRSL) is 0.03μg/m3 with an annual averaging time.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Chloro-2-methylpropene(563-47-3).msds
Questions And AnswerBack Directory
[Description]

3-Chloro-2-methylpropene is used as an intermediate to produce carbofuran, herbicides, plastics, pharmaceuticals and other organics. It is also used as an additive in textile and perfumes. It was used to study ring opening polymerization of oxirane derivatives using organotin phosphate condensate and cationic polymerization of 3-Chloro-2-methylpropene with AICI3 and AIBr3 as initiators. It is also the reactant for the synthesis of cyclobutanone.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Chloro-2-methylpropene(563-47-3)MS
3-Chloro-2-methylpropene(563-47-3)1HNMR
3-Chloro-2-methylpropene(563-47-3)13CNMR
3-Chloro-2-methylpropene(563-47-3)IR1
3-Chloro-2-methylpropene(563-47-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Chloro-2-methylpropene, tech., 90%(563-47-3)
[Alfa Aesar]

3-Chloro-2-methylpropene, 98%(563-47-3)
[Sigma Aldrich]

563-47-3(sigmaaldrich)
[TCI AMERICA]

3-Chloro-2-methyl-1-propene,>95.0%(GC)(563-47-3)
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