4-(2-Bromoethyl)phenol

HCID 84221

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Basic information

CAS: 14140-15-9
Standard SMILES: Oc1ccc(CCBr)cc1
InChIKey: DYYVTFCYVZEQDG-UHFFFAOYSA-N
Molecular formula: C8H9BrO
Average molar mass: 201.06 g/mol
Monoisotopic mass: 199.98367701

Names & identifiers

Preferred name: 4-(2-Bromoethyl)phenol
IUPAC: 4-(2-bromoethyl)phenol
English name: 4-(2-Bromoethyl)phenol
Molecular formula: C8H9BrO
Molecular weight: 201.06

Names & synonyms

4-(2-Bromoethyl)phenol14140-15-9EINECS 237-989-5I61CD92KW5UNII-I61CD92KW5DTXSID50161716RefChem:97039DTXCID7084207237-989-54-Hydroxyphenethyl bromideMFCD00129679PHENOL, 4-(2-BROMOETHYL)-

Show more names

AKOS 228-264-(2-Bromoethyl)phenol 98%4-Hydroxyphenethyl bromide 96%4-HYDROXY-1-(2-BROMOETHYL)BENZENE2-(4-HYDROXYPHENYL)-1-BROMOETHANE2-(4-Hydroxyphenyl)-1-bromoethane, 4-(2-Bromoethyl)phenol, 4-Hydroxy-1-(2-bromoethyl)benzene

Phenol, 4-bromoethyl-2-p-hydroxyphenylethyl bromide2-(4-hydroxyphenyl)ethyl bromide4-Hydroxyphenethyl bromide, 96%CS-W004888SY020164EN300-18962224-(2-Bromo-ethyl)-phenol

Database identifiers

CAS: 14140-15-9
PubChem CID: 84221
DTXSID: DTXSID50161716
ChEMBL: CHEMBL24838
UNII: I61CD92KW5
EC Number: 237-989-5
Nikkaji: J216.879K

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 87.3

Physicochemical properties

Melting point: 88 · 88-92 °C(lit.)
Boiling point: 276.5 · 276.5±15.0℃ (760 Torr)
Density: 1.501 · 1.501±0.06 g/cm3 (20 ºC 760 Torr)
Flash point: 121.1 · 121.1±20.4℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: solid
pka: 9.91 · 9.91±0.15(Predicted)
color: White to off-white
InChI: InChI=1S/C8H9BrO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6H2
InChIKey: DYYVTFCYVZEQDG-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(CCBr)C=C1
FDA UNII: 61 CD92KW5 · I61CD92KW5
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 2908190090 · 2908190090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.