3-(4-Bromo-2,5-difluorophenyl)propanoic acid

HCID 84807516
NotesReactions

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Basic information

CAS
1593702-30-7
Standard SMILES
O=C(O)CCc1cc(F)c(Br)cc1F
InChIKey
IWWOVWYIWGTYCL-UHFFFAOYSA-N
Molecular formula
C9H7BrF2O2
Average molar mass
265.05 g/mol
Monoisotopic mass
263.95975

Names & identifiers

Preferred name
3-(4-Bromo-2,5-difluorophenyl)propanoic acid
IUPAC
3-(4-bromo-2,5-difluorophenyl)propanoic acid

Names & synonyms

SCHEMBL15632913IWWOVWYIWGTYCL-UHFFFAOYSA-N3-(4-bromo-2,5-difluorophenyl)propanoic acid

Database identifiers

CAS
1593702-30-7
PubChem CID
84807516
EC Number
170-811-3

Properties

Computed structural propertiesFilling in

XLogP
2.6
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Related reactions

2 records
New reaction record

Compound notes

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