3-(4-Bromophenyl)propan-1-ol

HCID 10560614CAS 25574-11-2

Substructure search Find similar structures

Basic information

Standard SMILES: OCCCc1ccc(Br)cc1
InChIKey: WODKXGCVVOOEIJ-UHFFFAOYSA-N
Molecular formula: C9H11BrO
Average molar mass: 215.09 g/mol
Monoisotopic mass: 213.99932707

Names & identifiers

Preferred name: 3-(4-Bromophenyl)propan-1-ol
IUPAC: 3-(4-bromophenyl)propan-1-ol
English name: 3-(4-Bromo-phenyl)-propan-1-ol
Molecular formula: C9H11BrO
Molecular weight: 215.09

Names & synonyms

3-(4-bromophenyl)propan-1-ol25574-11-2DTXSID90441746RefChem:274432DTXCID90392567634-788-84-Bromobenzenepropanol3-(4-Bromo-phenyl)-propan-1-olBENZENEPROPANOL, 4-BROMO-3-(4-bromophenyl)-1-propanolMFCD09028724Benzenepropanol,4-bromo-

Show more names

2-(4-Bromophenyl)propan-1-ol4-bromophenylpropanol3-(4-Bromphenyl)propan-1-ol3-(4-Bromophenyl)propanol, 98%3-(4-Bromophenyl)-1-propanol,98%

AB32063-(4-bromophenyl)propanolSCHEMBL55153-(4-bromophenyl)-propanolorb3175416SCHEMBL1046459SCHEMBL76713973-(4-Bromophenyl)propyl Alcohol

Database identifiers

CAS: 25574-11-2
PubChem CID: 10560614
DTXSID: DTXSID90441746
EC Number: 634-788-8
Nikkaji: J953.616G

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 97.7

Physicochemical properties

Boiling point: 162 ℃/2.5Torr · 162℃/2.5Torr
Density: 1.41 · 1.41
refractive index: 1.562 to · 1.5620 to 1.5660
storage temp.: Sealed in dry,Room Temperature
pka: 15.03 · 15.03±0.10(Predicted)
form: Solid
color: Colorless to Light yellow
InChI: InChI=1S/C9H11BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2
InChIKey: WODKXGCVVOOEIJ-UHFFFAOYSA-N
SMILES: C1(CCCO)=CC=C(Br)C=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HazardClass: IRRITANT
HS Code: 29062990 · 29062990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 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 CategoriesAcute Tox. 4 (97.6%)

Safety data

hs_code: 29062990
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses3-(4-Bromophenyl)Propan-1-ol is a useful reagent in the synthesis of dimethylmorpholine substituted daphneolone derivatives with fungicidal properties.