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Basic Information
CAS No.: 106948-05-4
Name: 2,3-EPOXY-3-(4-BROMOPHENYL)-1-PROPANOL
Molecular Structure:
Molecular Structure of 106948-05-4 (2,3-EPOXY-3-(4-BROMOPHENYL)-1-PROPANOL)
Formula: C9H9 Br O2
Molecular Weight: 229.073
Synonyms: Oxiranemethanol,3-(4-bromophenyl)-, (2S,3S)- (9CI); Oxiranemethanol, 3-(4-bromophenyl)-,(2S-trans)-; [(2S,3S)-3-(4-Bromophenyl)oxiran-2-yl]methanol
Density: 1.599g/cm3
Boiling Point: 327.6°Cat760mmHg
Flash Point: 151.9°C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of Br−.
PSA: 32.76000
LogP: 1.88130
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Chemistry

Molecular Structure of Oxiranemethanol, 3-(4-bromophenyl)-, (2S-trans)- (CAS NO. 106948-05-4):

IUPAC Name: [(2S,3S)-3-(4-Bromophenyl)oxiran-2-yl]methanol 
Molecular Formula: C9H9BrO2
Molecular Weight: 229.070560 g/mol
XLogP3-AA: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Canonical SMILES: C1=CC(=CC=C1C2C(O2)CO)Br
Isomeric SMILES: C1=CC(=CC=C1[C@H]2[C@@H](O2)CO)Br
InChI: InChI=1S/C9H9BrO2/c10-7-3-1-6(2-4-7)9-8(5-11)12-9/h1-4,8-9,11H,5H2/t8-,9-/m0/s1
InChIKey: NFJNOLUOXBCBDP-IUCAKERBSA-N
Index of Refraction: 1.602
Molar Refractivity: 49.19 cm3
Molar Volume: 143.2 cm3
Surface Tension: 54.7 dyne/cm
Density: 1.599 g/cm3
Flash Point: 151.9 °C
Enthalpy of Vaporization: 60.16 kJ/mol
Boiling Point: 327.6 °C at 760 mmHg
Vapour Pressure: 8.08E-05 mmHg at 25 °C
Water Solubility: 5965 mg/L at 25 °C
BRN of Oxiranemethanol, 3-(4-bromophenyl)-, (2S-trans)- (CAS NO. 106948-05-4): 6197553

Toxicity Data With Reference

1.    

sce-ham-lng 625 µmol/L

     MUREAV    Mutation Research. 278 (1992),289.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of Br−.

Specification

  Oxiranemethanol, 3-(4-bromophenyl)-, (2S-trans)- with cas registry number of 106948-05-4 is also called for (2S,3S)-(-)-2,3-Epoxy-3-(4-bromophenyl)-1-propanol ; 3-(4-Bromophenyl)oxiranemethanol (2S-trans)- .