CAS 36236-76-7 4-(Bromomethyl)-2,2-dimethyl-1,3-dioxolane (HCID 169759)

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Basic information

CAS: 36236-76-7
Standard SMILES: CC1(C)OCC(CBr)O1
InChIKey: ZOPZKFNSQYCIPP-UHFFFAOYSA-N
Molecular formula: C6H11BrO2
Average molar mass: 195.05 g/mol
Monoisotopic mass: 193.99424169

Names & identifiers

Preferred name: 4-(Bromomethyl)-2,2-dimethyl-1,3-dioxolane
IUPAC: 4-(bromomethyl)-2,2-dimethyl-1,3-dioxolane
English name: 4-(Bromomethyl)-2,2-dimethyl-1,3-dioxalane
Molecular formula: C6H11BrO2
Molecular weight: 195.05

Names & synonyms

4-(bromomethyl)-2,2-dimethyl-1,3-dioxolane36236-76-7DTXSID20957628RefChem:515335DTXCID901385561831-726-34-(Bromomethyl)-2,2-dimethyl-1,3-dioxalaneMFCD145844554-(BROMOMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANDL-Isopropylideneglycerol-1-bromohydrin4-bromomethyl-2,2-dimethyl-1,3-dioxolane2,2-DIMETHYL-4(R)-4-BROMOMETHYL-1,3-DIOXALANE

Show more names

1,3-Dioxalane, 4-(bromomethyl)-2,2-dimethyl-1,3-Dioxolane, 4-(bromomethyl)-2,2-dimethyl-SCHEMBL935837ZOPZKFNSQYCIPP-UHFFFAOYSA-NLBA23676RB3372AKOS016005802CS-W018859

Database identifiers

CAS: 36236-76-7
PubChem CID: 169759
DTXSID: DTXSID20957628
EC Number: 831-726-3
Nikkaji: J1.598.008G

Properties

Computed structural properties

XLogP: 1.2
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: 75 ℃ · 75℃ (10 Torr)
Density: 1.381 g/cm3 · 1.381 g/cm3
refractive index: 1.4597 · 1.4597 (589.3 nm 20℃)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335-H317-H227
Precautionary statements: 210 · P210-P261-P264-P271-P272-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
RIDADR: 1993 · 1993
HazardClass: 3 · 3
PackingGroup: Ⅲ
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

Safety data

ridadr: 1993
hs_code: 2932990090
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_class: 3
packing_group: Ⅲ
Hazard statements: H315-H318-H335-H317-H227
Precautionary statements: P210-P261-P264-P271-P272-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501