p-Bromobenzhydryl alcohol
Basic information
- CAS
29334-16-5- Standard SMILES
OC(c1ccccc1)c1ccc(Br)cc1- InChIKey
WTIWDBNPPSHSCB-UHFFFAOYSA-N- Molecular formula
- C13H11BrO
- Average molar mass
- 263.13 g/mol
- Monoisotopic mass
- 261.99932707
Names & identifiers
- Preferred name
- p-Bromobenzhydryl alcohol
- IUPAC
- (4-bromophenyl)-phenylmethanol
- English name
- 4-Bromobenzhydrol
- Molecular formula
- C13H11BrO
- Molecular weight
- 263.13
Names & synonyms
p-Bromobenzhydryl alcohol4-Bromo-alpha-phenylbenzenemethanolEINECS 249-568-3DTXSID001305142NSC 89817RefChem:858003DTXCID501453445249-568-34-Bromobenzhydrol(4-bromophenyl)(phenyl)methanol29334-16-5p-Bromobenzhydrol
Show more names
(+/-)-4-BROMOBENZHYDROL4-Bromobenzhydryl alcoholDiphenhydramine Impurity 7(4-Bromophenyl)phenylmethanolα-Phenyl-4-bromobenzenemethanol
(4-bromophenyl)-phenylmethanolBenzhydrol, 4-bromo-MFCD00016851Benzenemethanol, 4-bromo-alpha-phenyl-4-BromodiphenylmethanolNSC89817Benzenemethanol, 4-bromo-.alpha.-phenyl-SCHEMBL477648
Database identifiers
- CAS
29334-16-5- PubChem CID
- 98221
- DTXSID
DTXSID001305142- EC Number
- 249-568-3
- Nikkaji
- J250.819B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 61 °C · 61 °C
- Boiling point
- 381.5 · 381.5±27.0 °C(Predicted)
- Density
- 1.435 · 1.435±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 13.34 · 13.34±0.20(Predicted)
- color
- White to Light yellow to Light orange
- CAS DataBase Reference
- 29334 · 29334-16-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 37 · 37/38-41-51/53
- Safety Statements
- 26 · 26-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- ridadr
- 3077
- hs_code
- 2906290090
- risk_code
- 37/38-41-51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Bromo-α-phenylbenzenemethanol is used in the synthesis of diarylmethylpiperazines as potent and selective nonpeptidic δ-opioid receptor agonists. Is used in the ysnthesis of bronsted acid-catalyzed benzylation of 1,3-dicarbonyl derivatives.
Upstream & downstream products
Downstream products
Related reactions
10 records
Compound notes
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