1-(4-Bromophenyl)ethanol (HCID 95352)

Overview

structure in first source

Names & identifiers

Preferred name: 1-(4-Bromophenyl)ethanol
IUPAC: 1-(4-bromophenyl)ethanol
English name: 1-(4-Bromophenyl)ethanol
Molecular formula: C8H9BrO
Molecular weight: 201.06

Names & synonyms

1-(4-Bromophenyl)ethanol5391-88-84-Bromo-alpha-methylbenzyl alcoholp-BromophenylethanolpBrPE cpd4-bromophenylethanolRefChem:425074226-389-91-(4-bromophenyl)ethan-1-ol4-Bromo-A-methylbenzyl alcoholp-BROMOPHENYLMETHYLCARBINOLMFCD00004514

Show more names

4-BROMOPHENYL METHYL CARBINOLAURORA KA-69874-Bromo-α1-(4-BROMOPHENYL)ETHANOL1-(4-Bromophenyl)ethanol-95%1-(4-BROMOPHENYL)ETHYL ALCOHOL4-bromo-à-methylbenzyl alcohol

4-BromophenylmethylcarbinolBenzenemethanol, 4-bromo-alpha-methyl-Benzenemethanol, 4-bromo-.alpha.-methyl-F2189-0065Benzyl alcohol, p-bromo-.alpha.-methyl-1-(p-bromophenyl)ethanolNSC3223p-Bromo-alpha-methylbenzyl alcohol

Database identifiers

CAS: 5391-88-8
PubChem CID: 95352
DTXSID: DTXSID301034356
EC Number: 226-389-9
Nikkaji: J217.943A

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 97.4

Physicochemical properties

Melting point: 36 · 36-38 °C(lit.)
Boiling point: 119 · 119-121 °C7 mm Hg(lit.)
Density: 1.46 g/mL · 1.46 g/mL at 25 °C(lit.)
refractive index: 1.568 · 1.5680
Flash point: 146 °F · 146 °F
storage temp.: Store at room temperature
form: Crystalline Powder
pka: 14.22 · 14.22±0.20(Predicted)
Specific Gravity: 1.46 · 1.460
color: White to light brown
BRN: 2042029 · 2042029
InChI: 1S/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChIKey: XTDTYSBVMBQIBT-UHFFFAOYSA-N
SMILES: CC(O)c1ccc(Br)cc1
CAS DataBase Reference: 5391 · 5391-88-8(CAS DataBase Reference)
NIST Chemistry Reference: 4 · Benzenemethanol, 4-bromo-«alpha»-methyl-(5391-88-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 29062900 · 29062900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (89.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (89.8%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29062900
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications

Uses4-Bromo-α-methylbenzyl alcohol was used in the synthesis of 3-(4-(1-(tert-butyl)dimethylsilyloxy)ethyl)phenyl)-3-(trifluoromethyl)-3H-diazirine and (1-(4-bromophenyl)ethoxy)(tert-butyl)dimethylsilane.