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2-(3-Chlorophenoxymethyl)oxirane

HCID 9899028
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
2211-95-2
Standard SMILES
Clc1cccc(OCC2CO2)c1
InChIKey
QMWAQHTYWDAKBC-UHFFFAOYSA-N
Molecular formula
C9H9ClO2
Average molar mass
184.62 g/mol
Monoisotopic mass
184.0291072

Names & identifiers

Preferred name
2-(3-Chlorophenoxymethyl)oxirane
IUPAC
2-[(3-chlorophenoxy)methyl]oxirane

Names & synonyms

2-(3-CHLOROPHENOXYMETHYL)OXIRANE2211-95-2RefChem:455381830-929-42-[(3-chlorophenoxy)methyl]oxirane3-chlorophenyl glycidyl etherSCHEMBL5513197[(3-chlorophenoxy)methyl]oxiraneQMWAQHTYWDAKBC-UHFFFAOYSA-NCAA21195AKOS000122884AKOS017283088
Show more names
SB45698SB46060EN300-22423G42217Z147642766

Database identifiers

CAS
2211-95-2
PubChem CID
9899028
EC Number
830-929-4

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
21.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Formal charge
0
Complexity
151

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P333+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%)

Related reactions

7 records
New reaction record
HRID 212428 reaction equation
HRID 212428As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1060356 reaction equation
HRID 1060356As reactantuspto-grants-2003_02
HRID 1085691 reaction equation
HRID 1085691As reactantuspto-grants-1991_04
HRID 1270621 reaction equation
HRID 1270621As reactantuspto-grants-2007_04
HRID 1723441 reaction equation
HRID 1723441As reactantuspto-grants-1989_08
HRID 2302157 reaction equation
HRID 2302157As reactantuspto-grants-2002_08
HRID 2415312 reaction equation
HRID 2415312As reactantuspto-grants-2004_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes