CAS 455957-88-7 (alphaR)-2-Bromo-5-chloro-alpha-methylbenzenemethanol (HCID 50852803)

Substructure search Find similar structures

Basic information

CAS: 455957-88-7
Standard SMILES: C[C@@H](O)c1cc(Cl)ccc1Br
InChIKey: HKYNVWVJIOXCQX-RXMQYKEDSA-N
Molecular formula: C8H8BrClO
Average molar mass: 235.5 g/mol
Monoisotopic mass: 233.94471

Names & identifiers

Preferred name: (alphaR)-2-Bromo-5-chloro-alpha-methylbenzenemethanol
IUPAC: (1R)-1-(2-bromo-5-chlorophenyl)ethanol

Names & synonyms

(1r)-1-(2-bromo-5-chlorophenyl)ethan-1-ol455957-88-7DTXSID801251995RefChem:405685DTXCID301682785(alphaR)-2-Bromo-5-chloro-alpha-methylbenzenemethanol897-652-9(R)-1-(2-Bromo-5-chlorophenyl)ethan-1-ol(1R)-1-(2-Bromo-5-Chlorophenyl)EthanolSCHEMBL3119255SCHEMBL31042467HKYNVWVJIOXCQX-RXMQYKEDSA-N

Show more names

EN300-1913872(I+/-R)-2-Bromo-5-chloro-I+/--methylbenzenemethanol

Database identifiers

CAS: 455957-88-7
PubChem CID: 50852803
DTXSID: DTXSID801251995
EC Number: 897-652-9

Properties

Computed structural propertiesFilling in

XLogP: 2.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 131

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.