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3'-Methylacetanilid

N-(3-Methylphenyl)acetamide

HCID 10843
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GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
537-92-8
Standard-SMILES
CC(=O)Nc1cccc(C)c1
InChIKey
ALMHSXDYCFOZQD-UHFFFAOYSA-N
Summenformel
C9H11NO
Durchschnittliche Molmasse
149,19 g/mol
Monoisotopische Masse
149,08406397

Überblick

N-acetyl-m-toluidine is a white solid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
N-(3-Methylphenyl)acetamide
IUPAC
N-(3-methylphenyl)acetamide
Lokaler Name
3'-Methylacetanilid
Englischer Name
3'-Methylacetanilide
Summenformel
C9H11NO
Molmasse
149.19

Namen und Synonyme

3'-Methylacetanilide537-92-8N-Acetyl-m-toluidinem-Acetotoluidem-AcetotoluidideN-(3-METHYLPHENYL)ACETAMIDEm-Methylacetanilidem-Tolylacetamide3-AcetamidotolueneN-m-TolylacetamideAceto-m-aminotolueneAcetotoluide
Weitere Namen anzeigen
M-ACETOTOLUIDINEAcetamide, N-(3-methylphenyl)-NSC 3103N-(m-Tolyl)N-AcetotoluidineN-AcetyltoluidineM-TOLYL-ACETAMIDE
N-Acetyl-3-methylaniline1-Acetamido-3-methylbenzeneDTXSID6024412KY86R0888BNSC-3103DTXCID304412RefChem:800337208-678-1

Datenbank-Bezeichner

CAS
537-92-8
PubChem CID
10843
DTXSID
DTXSID6024412
ChEMBL
CHEMBL1528164
UNII
KY86R0888B
EC Number

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,7
Polarare Oberfläche (TPSA)
29,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
11
Formalladung
0
Komplexität
144

Experimentelle und physikochemische Eigenschaften

LogP1.52
Density1.141 at 59 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Boiling Point577 °F at 760 mmHg (NTP, 1992)
Melting Point149.9 °F (NTP, 1992)
Physical DescriptionN-acetyl-m-toluidine is a white solid. (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
65 · 65-67 °C (lit.)
Siedepunkt
303 °C · 303 °C (lit.)
Dichte
1.141 · 1.1410
Dampfdruck
16 mm · 16 mm Hg ( 163 °C)
Brechungsindex
1.5279 · 1.5279 (estimate)
storage temp.
Inert atmosphere,Room Temperature

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 · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile · 1 Eintrag

N-ACETYL-M-TOLUIDINE is an amide. Flammable gases are formed by the reaction of organic amides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Air and Water ReactionsWater insoluble.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheit und Schutzausrüstung

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationAcetamide, N-(3-methylphenyl)-: INACTIVE

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

2-Amino-3,4-dimethyl-3H-imidazo[4,5-f]quinoline4-Brom-m-toluidinBenzenesulfonyl chloride, 4-(acetylamino)-2-methyl- (9CI)

Anbieter84 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
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成都彼样生物科技有限公司18108052721 · [email protected]
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温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.

Zugehörige Reaktionen

10
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 98532
HRID 98532als ProduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 238953
HRID 238953als Eduktuspto-grants-2014_02
Reaktionsgleichung von HRID 496155
HRID 496155als Produktuspto-grants-2005_09
Reaktionsgleichung von HRID 680134
HRID 680134als ProduktTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaktionsgleichung von HRID 846497
HRID 846497als Produktuspto-grants-1992_08
Reaktionsgleichung von HRID 944368
HRID 944368als ProduktValidation data from https://doi.org/10.1039/C8SC04228D
Reaktionsgleichung von HRID 974408
HRID 974408als Produktuspto-grants-1991_11
Reaktionsgleichung von HRID 1492419
HRID 1492419als Eduktuspto-grants-1994_12
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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
208-678-1
Nikkaji
J6.366E
Löslichkeit
alcohol: freely soluble(lit.)
Aggregatzustand
powder to crystal
pka
15.12 · 15.12±0.70(Predicted)
Farbe
White to Light gray to Light yellow
Merck
14 · 14,74
Stabilität
Stable. Incompatible with strong oxidizing agents.
InChI
1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKey
ALMHSXDYCFOZQD-UHFFFAOYSA-N
SMILES
CC(=O)Nc1cccc(C)c1
CAS Datenbank
537 · 537-92-8(CAS DataBase Reference)
NIST chemische Informationen
N-(3-Tolyl)acetic acid amide(537-92-8)
EPA chemische Informationen
m-Acetotoluidide (537-92-8)
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29242998
RTECS-Nr.
AN2875000
risk_code
22-36/37/38
Toxizität
LD50 orl-mus: 1450 mg/kg TXAPA9 19,20,71
hazard_code
Xn,Xi
safety_code
26-36
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
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