2-(3-Bromophenyl)-1,3-dioxolane

HCID 87306

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Basic information

CAS: 17789-14-9
Standard SMILES: Brc1cccc(C2OCCO2)c1
InChIKey: VYPYKCPWNPPBBX-UHFFFAOYSA-N
Molecular formula: C9H9BrO2
Average molar mass: 229.07 g/mol
Monoisotopic mass: 227.97859

Names & identifiers

Preferred name: 2-(3-Bromophenyl)-1,3-dioxolane
IUPAC: 2-(3-bromophenyl)-1,3-dioxolane
English name: 2-(3-Bromophenyl)-1,3-dioxolane
Molecular formula: C9H9BrO2
Molecular weight: 229.07

Names & synonyms

2-(3-Bromophenyl)-1,3-dioxolane2-(m-Bromophenyl)-1,3-dioxolaneEINECS 241-766-8RefChem:4552492(mBromophenyl)1,3dioxolane1,3Dioxolane, 2(3bromophenyl)3Bromobenzaldehyde ethylene acetal241-766-817789-14-93-Bromobenzaldehyde ethylene acetal1,3-Dioxolane, 2-(3-bromophenyl)-1-bromo-3-(1,3-dioxolan-2-yl)benzene

Show more names

RARECHEM AL BP 00522-(3-bromophenyl)-1,3-diox1,3-Dioxolane, 2-(m-bromophenyl)-2-Bromobenzaldehyde ethylenacetale

MFCD00003209m-Bromobenzaldehyde ethylene acetal2-(3-Bromo-phenyl)-[1,3]dioxolane2-(3-Bromophenyl)dioxolaneSCHEMBL194639DTXSID90740122-(3-Bromophenyl)-13-dioxolane2-(3-bromophenyl)-1,3-dioxaolane

Database identifiers

CAS: 17789-14-9
PubChem CID: 87306
DTXSID: DTXSID9074012
EC Number: 241-766-8
Nikkaji: J287.151C

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 145

Physicochemical properties

Boiling point: 132 · 132-133 °C8 mm Hg(lit.)
Density: 1.514 g/mL · 1.514 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.563(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: clear liquid
color: Colorless to Light yellow
Specific Gravity: 1.514 · 1.514
BRN: 1344030 · 1344030
InChI: 1S/C9H9BrO2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9H,4-5H2
InChIKey: VYPYKCPWNPPBBX-UHFFFAOYSA-N
SMILES: Brc1cccc(c1)C2OCCO2
CAS DataBase Reference: 17789 · 17789-14-9(CAS DataBase Reference)
NIST Chemistry Reference: 1 · 1,3-Dioxolane, 2-(3-bromophenyl)-(17789-14-9)
EPA Substance Registry System: 1 · 1,3-Dioxolane, 2-(3-bromophenyl)- (17789-14-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H320-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
PPE: Eyeshields, Gloves
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 2932990090 · 2932990090
Storage Class: 10 · 10 - Combustible liquids