2-(3-Bromo-5-hydroxyphenyl)acetic acid

HCID 66734166
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
934241-94-8
Standard SMILES
O=C(O)Cc1cc(O)cc(Br)c1
InChIKey
HEVGCOVCYZLVOV-UHFFFAOYSA-N
Molecular formula
C8H7BrO3
Average molar mass
231.04 g/mol
Monoisotopic mass
229.95786

Names & identifiers

Preferred name
2-(3-Bromo-5-hydroxyphenyl)acetic acid
IUPAC
2-(3-bromo-5-hydroxyphenyl)acetic acid

Names & synonyms

2-(3-BROMO-5-HYDROXYPHENYL)ACETIC ACID934241-94-8RefChem:455223818-713-8(3-BROMO-5-HYDROXYPHENYL)ACETIC ACIDSCHEMBL585787HEVGCOVCYZLVOV-UHFFFAOYSA-NJMB24194AKOS023447346AB75529DB-3098702-(3-BROMO-5-HYDROXYPHENYL)ACETICACID
Show more names
EN300-1655929Z1269195529

Database identifiers

CAS
934241-94-8
PubChem CID
66734166
EC Number
818-713-8

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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)

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

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Related reactions

6 records
New reaction record

Compound notes

Loading…