ChemicalBook CAS DataBase List 507-20-0

507-20-0

Name	2-Chloro-2-methylpropane
CAS	507-20-0
EINECS(EC#)	208-066-4
Molecular Formula	C4H9Cl
MDL Number	MFCD00000816
Molecular Weight	92.57
MOL File	507-20-0.mol

Synonyms

2-CHLORO-2-METHYLPROPANE 2-CHLORO-ISO-BUTANE 2-METHYL-2-CHLOROPROPANE AKOS BBS-00004388 T-BUTYL CHLORIDE TERT-BUTYL CHLORIDE Trimethylchloromethane 1-Chloro-1,1-dimethylethane 2-Chlor-2-methylpropan 2-chloro-2-methyl-propan 2-Methyl-2-propyl chloride 2-methyl-2-propylchloride Chlorotrimethylmethane Propane,2-chloro-2-methyl- tert.-Butylchlorid tert-Butylchlorid tert-C4H9Cl Tertiary-butyl chloride 2-Chloro-Tertbutane 2-Chloro-2-methylpropane, 98+%

Chemical Properties

Appearance	colourless liquid
Melting point	-25 °C (lit.)
Boiling point	51-52 °C (lit.)
density	0.851 g/mL at 25 °C(lit.)
vapor density	3.2 (vs air)
vapor pressure	4.82 psi ( 20 °C)
refractive index	n20/D 1.385(lit.)
Fp	−10 °F
storage temp.	Flammables area
solubility	soluble in Chloroform
form	Liquid
color	Clear
Stability:	Stable. Extremely flammable. Note low flash point. Incompatible with strong oxidizing agents. Vapour, being much denser than air, may travel considerable distances to a source of ignition. Hygroscopic.
explosive limit	1.8-10.1%(V)
Water Solubility	SLIGHTLY SOLUBLE
Merck	14,1562
BRN	1730872
Henry's Law Constant	1.6×10^-4 mol/(m³Pa) at 25℃, Clarke et al. (1962)
Dielectric constant	10.949999999999999
InChI	1S/C4H9Cl/c1-4(2,3)5/h1-3H3
InChIKey	NBRKLOOSMBRFMH-UHFFFAOYSA-N
SMILES	CC(C)(C)Cl
LogP	2.45 at 20-25℃
Surface tension	19.62mN/m at 293.15K
CAS DataBase Reference	507-20-0(CAS DataBase Reference)
NIST Chemistry Reference	Propane, 2-chloro-2-methyl-(507-20-0)
EPA Substance Registry System	507-20-0(EPA Substance)

Safety Data

Symbol(GHS)	GHS02
Signal word	Danger
Hazard statements	H225
Precautionary statements	P210
Hazard Codes	F
Risk Statements	R11:Highly Flammable. less more
Safety Statements	S16:Keep away from sources of ignition-No smoking . S29:Do not empty into drains . S33:Take precautionary measures against static discharges . S7/9:Keep container tightly closed and in a well-ventilated place . S9:Keep container in a well-ventilated place . less more
RIDADR	UN 1127 3/PG 2
WGK Germany	1
RTECS	TX5040000
Autoignition Temperature	570°C
TSCA	Yes
REACH Registrations	Active
HazardClass	3
PackingGroup	II
HS Code	29031980
Storage Class	3 - Flammable liquids
Hazard Classifications	Flam. Liq. 2
Safety Profile	Questionable carcinogen with experimental neoplastigenic data. Dangerous fire hazard when exposed to heat, flame (sparks), and oxidlzers. To fight fue, use water, spray, fog, alcohol foam, dry chemical. When heated to decomposition it emits toxic fumes of Cl-. See also CHLORINATED HYDROCARBONS, ALIPHATIC. less more

Raw materials And Preparation Products

Hazard Information

Chemical Properties

colourless liquid

Uses

2-Chloro-2-methylpropane is an alkylating agent that is used to functionalize molecules with tert-butyl group.
It serves as an effective chlorinating agent, in combination with the ionic liquid, 1-butyl-3-methylimidazolium bromide for converting alcohols into chlorides.
It can also be used to prepare tert-butyl ethers by treating with corresponding alcohols.

Application

tert-Butyl chloride plays an important role as a starting material to perform nucleophilic substitution reactions in order to prepare alcohol and alkoxides salts. It is used as an alkylating agent for the introduction of tert-butyl group and is also involved in Friedel-Crafts reactions. It is employed as an intermediate for the synthesis of agrochemicals and pharmaceuticals.

Flammability and Explosibility

Flammable

Synthesis

tert-Butyl chloride is prepared from tertbutyl alcohol (tert-butanol) using an acid catalyzed dehydration reaction.
Preparation of t-Butyl Chloride

The first step of the overall reaction is an acid-base reaction between the t-butanol and the hydrochloric acid. The t-butanol is a weak base and the hydrochloric acid is a strong acid. The alcoholic oxygen becomes fully protonated and so the equilibrium lies far to the right. In the second step we have the slow loss of water to form a carbocation intermediate. This species is very reactive and is immediately attacked by the chloride ion liberated in the first step to form tert-Butyl chloride.

Purification Methods

Purification methods commonly used for other alkyl halides lead to decomposition. Some impurities can be removed by photochlorination with a small amount of chlorine prior to use. The liquid is washed with ice water, dried with CaCl2 or CaCl2 + CaO and fractionally distilled. It has been further purified by repeated fractional crystallisation by partial freezing. [Beilstein 1 IV 288.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

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