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Phenyl Methylcarbamate

HCID 16034
NotizenReaktionen
GrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
1943-79-9
Standard-SMILES
CNC(=O)Oc1ccccc1
InChIKey
SCWKRWCUMCMVPW-UHFFFAOYSA-N
Summenformel
C8H9NO2
Durchschnittliche Molmasse
151,16 g/mol
Monoisotopische Masse
151,06332853

Namen und Bezeichner

Bevorzugter Name
Phenyl Methylcarbamate
IUPAC
phenyl N-methylcarbamate
Englischer Name
Methylcarbamic acid phenyl ester
Summenformel
C8H9NO2
Molmasse
151.16

Namen und Synonyme

PHENYL METHYLCARBAMATE1943-79-9Phenyl N-methylcarbamateMethylcarbamic acid phenyl esterPhenmecN-MethylphenylcarbamatePhenyl monomethylcarbamateCarbamic acid, methyl-, phenyl esterPhenol, methylcarbamatePhenyl-N-methylcarbamateDRC 3345Methyl carbamic acid phenyl ester
Weitere Namen anzeigen
Pyriproxyfen Impurity 2PHENYL-N-METHYL-CARBAMATECARBAMICACID,METHYL-,PHENYLESTERN-Methylcarbamic acid phenyl esterCarbamic acid,N-methyl-, phenyl ester
CCRIS 1835HSDB 2598NSC 128138BRN 2045075AI3-3308019U7Y0R088NSC-128138Carbamic acid, N-methyl-, phenyl ester

Datenbank-Bezeichner

CAS
1943-79-9
PubChem CID
16034
DTXSID
DTXSID1073282
ChEMBL
CHEMBL2046815
UNII
19U7Y0R088
EC Number
815-597-0
Nikkaji
J42.803E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,2
Polarare Oberfläche (TPSA)
38,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
11
Formalladung
0
Komplexität
130

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Carbamic Acid Esters
LogP · 2 Einträge

1.24

1.24

Vapor Pressure0.07 [mmHg]

Physikochemische Eigenschaften

Schmelzpunkt
86 °C · 86 °C
Siedepunkt
273.17 °C · 273.17°C (rough estimate)
Dichte
1.2023 · 1.2023 (rough estimate)
Brechungsindex
1.581 · 1.5810 (estimate)
storage temp.
Sealed in dry,Room Temperature
pka
11.54 · 11.54±0.46(Predicted)
Wasserlöslichkeit
5 g/L · 5g/L at 25℃
InChI
InChI=1S/C8H9NO2/c1-9-8(10)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKey
SCWKRWCUMCMVPW-UHFFFAOYSA-N
SMILES

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 90% (9 of 10) of all reports.

Warning

H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 07-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21536

Hazards SummaryCauses general anesthesia in lethal-dose studies of rats (intraperitoneal and intravenous routes); [RTECS] Does not inhibit the cholinesterase enzyme; [HSDB]
Hazard Classes and CategoriesAcute Tox. 4 (10%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Non-Human Toxicity Excerpts · 1 Eintrag

EFFECT OF SUBSTITUTION BY ALKYL, METHOXY, & CHLORO GROUPS IN PHENYL METHYLCARBAMATES ON TOXICITY TO APIS MELLIFERA & INHIBITION OF BEE HEAD CHOLINESTERASE WAS STUDIED. THE RELATION BETWEEN ANTICHOLINESTERASE ACTIVITY AND SYNERGIZED TOXICITY TO THE HONEY BEE, A CARBAMATE-SUSCEPTIBLE INSECT, WAS SIMILAR TO THAT PREVIOUSLY FOUND WITH HOUSE FLIES.

Chemie und Industrie

Pharmakologische Informationen

Mechanism of ActionANTICHOLINESTERASE ACTIVITIES OF 97 PHENYL CARBAMATES WERE CORRELATED WITH MOLECULAR STRUCTURAL PARAMETERS. THESE CARBAMATES ARE INSECTICIDES AND MAY ACT AS INHIBITORS OF ACETYLCHOLINESTERASE.
Metabolism/MetabolitesPHENYL N-METHYLCARBAMATE IS METABOLIZED TO PHENYL N-HYDROXYMETHYLCARBAMATE IN MOUSE. HOOK, GER & JN SMITH, BIOCHEM J 102: 504 (1967). /FROM TABLE/

Verwendung und Herstellung

Uses · 4 Einträge

Used as a synergistic herbicide; formerly as an intermediate for permanent press finishes; [HSDB]

Farming (Pesticides) [Category: Industry]

FORMERLY A CHEMICAL INTERMEDIATE FOR PERMANENT PRESS FINISHES

SYNERGISTIC HERBICIDE

U.S. Exports · 2 Einträge

(1972) No Data

(1975) No Data

U.S. Imports · 2 Einträge

(1972) No Data

(1975) No Data

U.S. Production · 2 Einträge

(1972) NEGLIGIBLE

(1975) No Data

Methods of ManufacturingFORMERLY BY THE REACTION OF METHYL ISOCYANATE WITH PHENOL OR BY THE REACTION OF PHENYL CHLOROFORMATE WITH METHYLAMINE
General Manufacturing Information · 4 Einträge

Carbamic acid, N-methyl-, phenyl ester: INACTIVE

WHEN MIXED WITH N-OCTYLBICYCLOHEPTENEDICARBOXIMIDE, PIPERONYLBUTOXIDE &/OR OCTACHLORODIPROL ETHER, IT IS USED AS BROAD-SPECTRUM INSECTICIDE.

ALKYL N-PHENYLCARBAMATE HERBICIDES ARE USED IN COMBINATION WITH PHENYL-ALKYLCARBAMATE OR N,N-DIALKYLCARBAMATE HERBICIDES FOR INCR OR PROLONGING HERBICIDAL ACTIVITY OR ALTERING SPECTRUM OF HERBICIDAL ACTIVITY.

EITHER 3,4-DICHLOROPROPIONANILIDE OR PHENYL METHYLCARBAMATE APPLIED TO SOILS @ (300 & 50 G/10 ACRE, RESPECTIVELY) HAD LITTLE ACTIVITY; IN COMBINATION THEY COMPLETELY CONTROLLED WEEDS.

Zugehörige Reaktionen

32
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 100051
HRID 100051als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 107825
HRID 107825als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 441898
HRID 441898als Eduktuspto-grants-1977_08
Reaktionsgleichung von HRID 441971
HRID 441971als Eduktuspto-grants-1977_08
Reaktionsgleichung von HRID 594823
HRID 594823als Eduktuspto-grants-2016_01
Reaktionsgleichung von HRID 956902
HRID 956902als EduktValidation data from https://doi.org/10.1039/C8SC04228D
Reaktionsgleichung von HRID 1112602
HRID 1112602als Eduktuspto-grants-1978_10
Reaktionsgleichung von HRID 1213927
HRID 1213927als EduktTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
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C(OC1=CC=CC=C1)(=O)NC
EPA chemische Informationen
Phenyl methylcarbamate (1943-79-9)
Environmental Abiotic Degradation
PHOTODECOMPOSITION OF PHENMEC (PHENYL-N-METHYLCARBAMATE) RESULTS IN PHENOL, 2-HYDROXY-N-METHYL-BENZAMIDE, 4-HYDROXY-N-METHYL BENZAMIDE AND BENZENE. PHOTODECOMPOSITION PRECEEDS VIA ALPHA AND BETA CLEAVAGE.
Antidote and Emergency Treatment · 5 Einträge

1) ESTABLISH CLEAR AIRWAY & TISSUE OXYGENATION BY ASPIRATION OF SECRETIONS & IF NECESSARY, BY ASSISTED PULMONARY VENTILATION WITH OXYGEN. IMPROVE TISSUE OXYGENATION AS MUCH AS POSSIBLE BEFORE ADMINISTERING ATROPINE TO MINIMIZE THE RISK OF VENTRICULAR FIBRILLATION. /CARBAMATES, CHOLINESTERASE INHIBITORS/

2) ADMIN ATROPINE SULFATE IV, OR IM IF IV INJECTION IS NOT POSSIBLE... IN MODERATELY SEVERE POISONING: ADULT DOSAGE, INCLUDING CHILDREN OVER 12 YR: 0.4-2.0 MG REPEATED EVERY 15 MIN UNTIL ATROPINIZATION IS ACHIEVED (TACHYCARDIA, FLUSHING, DRY MOUTH, MYDRIASIS). MAINTAIN ATROPINIZATION BY REPEATED DOSES FOR 2-12 HR, OR LONGER, DEPENDING ON SEVERITY OF POISONING... DOSAGE FOR CHILDREN UNDER 12 YEARS: 0.05 MG/KG BODY WT REPEATED EVERY 15 MIN UNTIL ATROPINIZATION IS ACHIEVED. MAINTAIN ATROPINIZATION WITH REPEATED DOSAGE OF 0.02-0.05 MG/KG. SEVERELY POISONED INDIVIDUALS MAY EXHIBIT REMARKABLE TOLERANCE TO ATROPINE; TWICE THE DOSES SUGGESTED ABOVE MAY BE NEEDED... /CARBAMATES, CHOLINESTERASE INHIBITORS/

3. PRALIDOXIME (PROTOPAM-AYERST, 2-PAM) IS OF DOUBTFUL VALUE IN POISONINGS BY CARBAMATE INHIBITORS OF CHOLINESTERASE. ATROPINE ALONE IS ALMOST ALWAYS AN ADEQUATE ANTIDOTE. PRALIDOXIME IS PROBABLY CONTRAINDICATED IN POISONINGS BY CARBARYL, SPECIFICALLY. IF VICTIM OF CARBAMATE POISONING EXHIBITS SEVERE MUSCLE WEAKNESS &/OR RESPIRATORY DEPRESSION, OR IF POISONING INVOLVES A COMBINATION OF CARBAMATE & ORGANOPHOSPHATE, A DILUTE SOLUTION OF PRALIDOXIME (TOTAL DOSE IN 250 ML 5% GLUCOSE SOLN) MAY BE GIVEN CAUTIOUSLY IV. THE INFUSION SHOULD BE TERMINATED IF PATIENT'S CONDITION WORSENS. PRALIDOXIME DOSAGE: ADULTS, 1.0 G; FOR CHILDREN UNDER 12 YR, 20-50 MG/KG. 4. OBSERVE TREATED PATIENTS CLOSELY AT LEAST 24 HR TO INSURE THAT SYMPTOMS (POSSIBLY PULMONARY EDEMA) DO NOT RECUR AS ATROPINIZATION WEARS OFF. IN VERY SEVERE POISONINGS, METABOLIC DISPOSITION OF TOXICANT MAY REQUIRE SEVERAL HR OR DAYS DURING WHICH ATROPINIZATION MUST BE MAINTAINED. /CARBAMATES, CHOLINESTERASE INHIBITORS/

5. BATHE & SHAMPOO VICTIM WITH SOAP & WATER IF THERE IS ANY CHANCE THAT SKIN & HAIR ARE CONTAMINATED. 6. IF PESTICIDE HAS BEEN INGESTED IN QUANTITY SUFFICIENT TO CAUSE POISONING, EMPTY THE STOMACH & INTESTINE. A. IF VICTIM IS ALERT & RESPIRATION IS NOT DEPRESSED, GIVE SYRUP OF IPECAC, FOLLOWED BY 1-2 GLASSES OF WATER TO INDUCE VOMITING; ADULTS (INCLUDING CHILDREN OVER 12), 30 ML; CHILDREN (UNDER 12 YR), 15 ML. CAUTION: OBSERVE VICTIM CLOSELY AFTER ADMIN IPECAC, IF CONSCIOUSNESS LEVEL DECLINES, OR IF VOMITING HAS NOT OCCURRED IN 15 MIN, PROCEED IMMEDIATELY TO INTUBATE THE STOMACH. FOLLOWING EMESIS, HAVE VICTIM DRINK A SUSPENSION OF /PRC: 30 G ACTIVATED CHARCOAL IN 3-4 OZ OF WATER (CHILDREN), 100 G IN 8-10 OZ OF WATER (ADULTS)/...TO BIND TOXICANT REMAINING IN THE GI TRACT. /CARBAMATES, CHOLINESTERASE INHIBITORS/

For more Antidote and Emergency Treatment (Complete) data for PHENYL METHYLCARBAMATE (6 total), please visit the HSDB record page.

Sicherheitsdaten

tsca
TSCA listed
hs_code
2924297099
Giftige Stoffe Daten
1943-79-9(Hazardous Substances Data)

Anwendungen

VerwendenPhenyl N-Methylcarbamate can be used as a biomarker for colorectal cancer. It also used an insecticide.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

NSC82194Acetic acid, 2-hydroxy-, 2-[(methylamino)carbonyl]hydrazide

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