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メチルカルバミド酸フェニル

Phenyl Methylcarbamate

HCID 16034
ノート反応
基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
1943-79-9
標準SMILES
CNC(=O)Oc1ccccc1
InChIKey
SCWKRWCUMCMVPW-UHFFFAOYSA-N
分子式
C8H9NO2
平均分子量
151.16 g/mol
単同位体質量
151.06332853

名称と識別子

優先名称
Phenyl Methylcarbamate
IUPAC
phenyl N-methylcarbamate
現地名
メチルカルバミド酸フェニル
英語名
Methylcarbamic acid phenyl ester
分子式
C8H9NO2
分子量
151.16

名称と別名

PHENYL METHYLCARBAMATE1943-79-9Phenyl N-methylcarbamateMethylcarbamic acid phenyl esterPhenmecN-MethylphenylcarbamatePhenyl monomethylcarbamateCarbamic acid, methyl-, phenyl esterPhenol, methylcarbamatePhenyl-N-methylcarbamateDRC 3345Methyl carbamic acid phenyl ester
名称をさらに表示
メチルカルバミド酸フェニルN-メチルカルバミド酸フェニルフェンメックフェニル N-メチルカルバマート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

データベース識別子

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

物性

構造計算による物性

XLogP
1.2
極性表面積
38.3 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
2
重原子数
11
形式電荷
0
複雑度
130

実験および物理化学的性質

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

1.24

1.24

Vapor Pressure0.07 [mmHg]

物理化学的性質

融点
86 °C · 86 °C
沸点
273.17 °C · 273.17°C (rough estimate)
比重(密度)
1.2023 · 1.2023 (rough estimate)
屈折率
1.581 · 1.5810 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
酸解離定数(Pka)
11.54 · 11.54±0.46(Predicted)
水溶解度
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
C(OC1=CC=CC=C1)(=O)NC
EPAの化学物質情報
Phenyl methylcarbamate (1943-79-9)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

毒性情報

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

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.

Environmental Abiotic DegradationPHOTODECOMPOSITION 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.

化学と産業

薬理情報

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/

用途と製造

Uses · 4 件

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 件

(1972) No Data

(1975) No Data

U.S. Imports · 2 件

(1972) No Data

(1975) No Data

U.S. Production · 2 件

(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 件

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.

関連反応

32 件
反応記録を作成
HRID 100051 の反応式
HRID 100051反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 107825 の反応式
HRID 107825反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 441898 の反応式
HRID 441898反応物としてuspto-grants-1977_08
HRID 441971 の反応式
HRID 441971反応物としてuspto-grants-1977_08
HRID 594823 の反応式
HRID 594823反応物としてuspto-grants-2016_01
HRID 956902 の反応式
HRID 956902反応物としてValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1112602 の反応式
HRID 1112602反応物としてuspto-grants-1978_10
HRID 1213927 の反応式
HRID 1213927反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
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化合物ノート

読み込み中…

このページの内容基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
Antidote and Emergency Treatment · 5 件

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.

安全データ

tsca
TSCA listed
hs_code
2924297099
有毒物質データの
1943-79-9(Hazardous Substances Data)

応用分野

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

上流・下流製品情報

下流製品

4-メチルセミカルバジドAcetic acid, 2-hydroxy-, 2-[(methylamino)carbonyl]hydrazide

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