CAS 4362-40-7 4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane (HCID 20374)

Names & identifiers

Preferred name: 4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane
IUPAC: 4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane
English name: 4-(CHLOROMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE
Molecular formula: C6H11ClO2
Molecular weight: 150.6

Names & synonyms

4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane1,3-Dioxolane, 4-(chloromethyl)-2,2-dimethyl-BRN 0104463EINECS 224-452-5AI3-17556UNII-0366925SM90366925SM9DTXSID608840655-19-01-00085 (Beilstein Handbook Reference)1-CHLORO-2,3-O-ISOPROPYLIDENEPROPANERefChem:97396DTXCID101023537

Show more names

4-chloromethyl-2,2-dimethyl-3-dioxolane4-(chloromethyl)-2,2-dimethyl-3-dioxolane2,2-Dimethyl-4-(chloromethyl)-1,3-dioxolane4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane,99%4-(CHLOROMETHYL)-2,2-DIMETHYL-1,3- DIOXOLANE 99%4-Chloromethyl-2,2-dimethyl-1,3-dioxolane in methanol4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane in Acetonitrile

(+-)-4-(CHLOROMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE4-(CHLOROMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE, (+-)-BNPOTXLWPZOESZ-UHFFFAOYSA-N4362-40-74-Chloromethyl-2,2-dimethyl-1,3-dioxolaneMFCD000460971,3-Dioxolane,4-(chloromethyl)-2,2-dimethyl-4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane, (+/-)-

Database identifiers

CAS: 4362-40-7
PubChem CID: 20374
DTXSID: DTXSID60884065
UNII: 0366925SM9
EC Number: 224-452-5
Nikkaji: J83.700H

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 103

Physicochemical properties

Boiling point: 156 · 156-158 °C(lit.)
Density: 1.063 g/mL · 1.063 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.434(lit.)
Flash point: 128 °F · 128 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Oil
color: Colourless
Stability: Volatile
InChI: 1S/C6H11ClO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3
InChIKey: BNPOTXLWPZOESZ-UHFFFAOYSA-N
SMILES: CC1(C)OCC(CCl)O1
CAS DataBase Reference: 4362 · 4362-40-7
FDA UNII: 366925 SM9 · 0366925SM9
EPA Substance Registry System: 1 · 1,3-Dioxolane, 4-(chloromethyl)-2,2-dimethyl- (4362-40-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS06
Signal word: Danger
Hazard statements: 226 · H226-H301
Precautionary statements: 210 · P210-P301+P310+P330
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: T
Risk Statements: 10 · 10-25
Safety Statements: 16 · 16-23-26-36/37/39
RIDADR: 1992 · UN 1992 3/PG 3
WGK Germany: 3 · 3
RTECS: 6950000 · JH6950000
TSCA: TSCA listed
HazardClass: 3 · 3, 6.1
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 OralFlam · Acute Tox. 3 OralFlam. Liq. 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: JH6950000
ridadr: UN 1992 3/PG 3
risk_code: 10-25
Signal word: Danger
Symbol(GHS): GHS02,GHS06
hazard_code: T
safety_code: 16-23-26-36/37/39
hazard_class: 3, 6.1
Storage Class: 3 - Flammable liquids
Hazard statements: H226-H301
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 3 OralFlam. Liq. 3
Precautionary statements: P210-P301+P310+P330

Chemistry & industry

Applications · 3 items

Uses4-Chloromethyl-2,2-dimethyl-1,3-dioxolane may be used in the preparation of 2,2-dimethyl-4-methylene-1,3-dioxolane via dehydrochlorination.

Uses4-Chloromethyl-2,2-dimethyl-1,3-dioxolane is used in biosynthetic preparations.

General Description4-Chloromethyl-2,2-dimethyl-1,3-dioxolane is a ketal that can be synthesized by the reaction of 3-chloro-propane-1,2-diol (3-MCPD) with acetone in the presence of p-toluene sulfonic acid.