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(+)-Mecoprop

(+)-Mecoprop structure

CAS No:
16484-77-8
Formula:
C10H11ClO3
Chemical Name:
(+)-Mecoprop
Synonyms:
Propanoic acid,2-(4-chloro-2-methylphenoxy)-,(2R)-;Propionic acid,2-[(4-chloro-o-tolyl)oxy]-,(+)-;Propanoic acid,2-(4-chloro-2-methylphenoxy)-,(R)-;(2R)-2-(4-Chloro-2-methylphenoxy)propanoic acid;(+)-2-(4-Chloro-2-methylphenoxy)propionic acid;(+)-2-(4-Chloro-o-tolyloxy)propionic acid;(+)-MCPP;Mecoprop-P;(+)-2-(4-Chloro-2-methylphenoxy)propanoic acid;Duplosan;(R)-(+)-Mecoprop;(+)-Mecoprop;(R)-Mecoprop;(R)-2-(4-Chloro-2-methylphenoxy)propionate;(R)-2-(4-Chloro-o-tolyloxy)propionic acid;Ipponjime Ekizai;(+)-(R)-2-(4-Chloro-2-methylphenoxy)propionic acid;(2R)-2-(4-Chloro-2-methylphenoxy)propanoic acid;CMPP-P;MCPP-P;Mechlorprop-P;RP 591066;18221-59-5;94596-45-9
Categories:
Analytical Chemistry > Standard

Description

ChEBI: The (R)-enantiomer of 2-(4-chloro-2-methylphenoxy)propanoic acid; the active stereoisomer of the racemic herbicide mecoprop.

(R)-mecoprop is the (R)-enantiomer of 2-(4-chloro-2-methylphenoxy)propanoic acid; the active stereoisomer of the racemic herbicide mecoprop. It has a role as a phenoxy herbicide. It is a conjugate acid of a (R)-2-(4-chloro-2-methylphenoxy)propanoate. It is an enantiomer of a (S)-mecoprop.

(+)-Mecoprop Basic Attributes

Molecular Weight：

214.65

Exact Mass：

214.65

EC Number：

240-539-0

UNII：

455R9M917H

DSSTox ID：

DTXSID3032670

HScode：

2918990022

Characteristics

PSA：

46.5

XLogP3：

2.50030

Density：

1.2413 (rough estimate)

Melting Point：

95 °C

Boiling Point：

308.11°C (rough estimate)

Flash Point：

>100 °C

Refractive Index：

1.5390 (estimate)

Storage Conditions：

0-6°C

Vapor Pressure：

2.64e-06 mmHg

Toxicity：

Oral-Rat LD50: 1050 mg/kg; Abdominal cavity-mouse LD50: 680 mg/kg

Flammability characteristics：

Combustible, decomposes toxic chloride, nitrogen oxide gas when burning

Safety Information

Transport codes：

UN30779/PG3

wgk germany：

hazard class code：

22-41-51/53

safety instructions：

13-26-37/39-46-61

RTECS Number：

UE9755000

Marks：

Xn,N

Storage features：

Warehouse low temperature, ventilated, dry

Precautionary statement(s)：

P273-P280-P305 + P351 + P338

Hazard Statements：

H302-H318-H411

GHS Classification：

|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, P391, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 254 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

(+)-Mecoprop Use and Manufacturing

Use Classification：

Agrochemicals -> Herbicides|Environmental transformation -> Pesticides (parent, predecessor)

Agrochemical：

Mecoprop-P has known environmental transformation products that include 2-methyl-4-chlorophenol.

Computed Properties

Molecular Weight:214.64
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:214.0396719
Monoisotopic Mass:214.0396719
Topological Polar Surface Area:46.5
Heavy Atom Count:14
Complexity:208
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes