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Phenol,4-(bromomethyl)-
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Name

Phenol,4-(bromomethyl)-

 EINECS 259-889-0
CAS No. 27079-92-1 Density 1.593 g/cm3
PSA 20.23000 LogP 2.28710
Solubility N/A Melting Point N/A
Formula C7H7BrO Boiling Point 269.9 °C at 760 mmHg
Molecular Weight 187.036 Flash Point 117.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 27079-92-1 (4-(BROMOMETHYL)PHENOL) Hazard Symbols N/A
Synonyms

p-Cresol, a-bromo- (8CI);4-Hydroxybenzyl bromide;p-(Bromomethyl)phenol;4-(Bromomethyl)phenol;

Article Data 11

Phenol,4-(bromomethyl)- Synthetic route

Conditions
ConditionsYield
With sodium perborate In methanol at 25℃; for 0.5h;80%

4-(bromomethyl)phenol

4-(bromomethyl)phenol

Conditions
ConditionsYield
With 1,3,5-trichloro-2,4,6-triazine; sodium bromide In dichloromethane; N,N-dimethyl-formamide at 20℃; for 24h; chemoselective reaction;59%
With pyridine; phosphorus tribromide In tetrahydrofuran for 18h; Ambient temperature;
With pyridine; phosphorus tribromide In tetrahydrofuran at 20℃; for 12h;

27079-92-1

4-(bromomethyl)phenol

Conditions
ConditionsYield
With perchloric acid; sodium perchlorate; bromide at 25℃; Equilibrium constant;
74-95-3

1,2-dibromomethane

108-95-2

phenol

A

27079-92-1

4-(bromomethyl)phenol

B

58402-38-3

2-hydroxybenzyl bromide

Conditions
ConditionsYield
Stage #1: phenol With sodium hydride In N,N-dimethyl-formamide at 20℃;
Stage #2: 1,2-dibromomethane In N,N-dimethyl-formamide at 60℃; for 2h;
123-08-0

4-hydroxy-benzaldehyde

27079-92-1

4-(bromomethyl)phenol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium tetrahydroborate; methanol
2: phosphorus tribromide / dichloromethane
View Scheme
27079-92-1

4-(bromomethyl)phenol

536-74-3

phenylacetylene

104951-50-0

1-(p-hydroxybenzyl)-4-phenyl-1H-1,2,3-triazole

Conditions
ConditionsYield
With sodium azide In water at 60℃; Inert atmosphere; Green chemistry;93%
27079-92-1

4-(bromomethyl)phenol

123-08-0

4-hydroxy-benzaldehyde

Conditions
ConditionsYield
Stage #1: 4-(bromomethyl)phenol With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium bromide In water for 0.0833333h; Reflux;
Stage #2: With dihydrogen peroxide In water for 3h;		86%

Phenol,4-(bromomethyl)- Specification

The Phenol,4-(bromomethyl)-, with the CAS registry number 27079-92-1, is also known as p-(Bromomethyl)phenol. This chemical's molecular formula is C7H7BrO and molecular weight is 187.03. What's more, its systematic name is 4-(bromomethyl)phenol.

Physical properties of Phenol,4-(bromomethyl)- are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/BCF (pH 5.5): 26.84; (5)ACD/BCF (pH 7.4): 26.7; (6)ACD/KOC (pH 5.5): 366.74; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.611; (12)Molar Refractivity: 40.78 cm3; (13)Molar Volume: 117.3 cm3; (14)Surface Tension: 49.4 dyne/cm; (15)Density: 1.593 g/cm3; (16)Flash Point: 117.1 °C; (17)Enthalpy of Vaporization: 52.86 kJ/mol; (18)Boiling Point: 269.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00425 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ccc(O)cc1
(2)InChI: InChI=1S/C7H7BrO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5H2
(3)InChIKey: MKNQNPYGAQGARI-UHFFFAOYSA-N

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