2-(4-Chlorophenoxy)propionic acid

HCID 18703
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Basic information

CAS
3307-39-9
Standard SMILES
CC(Oc1ccc(Cl)cc1)C(=O)O
InChIKey
DKHJWWRYTONYHB-UHFFFAOYSA-N
Molecular formula
C9H9ClO3
Average molar mass
200.62 g/mol
Monoisotopic mass
200.02402183

Overview

CPP is a monocarboxylic acid. It has a role as a phenoxy herbicide.

Names & identifiers

Preferred name
2-(4-Chlorophenoxy)propionic acid
IUPAC
2-(4-chlorophenoxy)propanoic acid
English name
2-(4-CHLOROPHENOXY) PROPIONIC ACID
Molecular formula
C9H9ClO3
Molecular weight
200.62

Names & synonyms

2-(4-CHLOROPHENOXY)PROPANOIC ACID3307-39-92-(4-Chlorophenoxy)propionic acid2-(p-Chlorophenoxy)propionic acidDTXSID908758652-p-CPPRefChem:457330DTXCID301013982221-991-84-CPPPropanoic acid, 2-(4-chlorophenoxy)-2-(4-chlorophenoxy) propionic acid
Show more names
AKOS BBB/244AKOS BBS-00006979OTAVA-BB BB7119571919LABOTEST-BB LT00233238o-(4-chlorphenyl)milchsaure2-(p-Chlorophenoxy)propanoic acid
MFCD000026472-(4-CPP)C9H9ClO3S-(-)CPPPropionic acid, 2-(p-chlorophenoxy)-alpha-(4-Chlorophenoxy)propionic acid(+/-)-2-(4-CHLOROPHENOXY)PROPIONIC ACIDNSC-70174

Database identifiers

CAS
3307-39-9
PubChem CID
18703
DTXSID
DTXSID90875865
ChEMBL
CHEMBL23629
ChEBI
CHEBI:34603
UNII
T7VVY85E2H
EC Number
221-991-8
Nikkaji
J7.716J

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13

Physicochemical properties

Melting point
66 °C · 66 °C
Boiling point
288.02 °C · 288.02°C (rough estimate)
Density
1.2799 · 1.2799 (rough estimate)
refractive index
1.547 · 1.5470 (estimate)
storage temp.
2 · 2-8°C
pka
3.14 · 3.14±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (97.4%)

Safety data

hs_code
2918999090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H315-H319-H335

Chemistry & industry

Applications

Uses2-(4-Chlorophenoxy) propionic acid

Suppliers60 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州瀚轩生物科技有限公司18602598900，18605190599 18602598900 · [email protected]

Additional notes

DefinitionChEBI: CPP is a monocarboxylic acid. It has a role as a phenoxy herbicide.

Related reactions

2 records
New reaction record

Compound notes

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