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p-Anisidiniumchlorid

4-Anisidine hydrochloride

HCID 2734956
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Grundinformationen

CAS
20265-97-8
Standard-SMILES
COc1ccc(N)cc1.Cl
InChIKey
VQYJLACQFYZHCO-UHFFFAOYSA-N
Summenformel
C7H9NO.ClH
Durchschnittliche Molmasse
159,61 g/mol
Monoisotopische Masse
159,04509162

Überblick

Grayish-black crystalline solid or brown crystals. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
4-Anisidine hydrochloride
IUPAC
4-methoxyaniline;hydrochloride
Lokaler Name
p-Anisidiniumchlorid
Englischer Name
p-Anisidine hydrochloride
Summenformel
C7H10ClNO
Molmasse
159.61

Namen und Synonyme

4-Anisidine hydrochlorideRefChem:85798420265-97-84-Methoxyaniline hydrochloridep-Anisidine hydrochloridep-Anisidinium chloridep-Anisidine.HClBenzenamine, 4-methoxy-, hydrochlorideBenzenamine, 4-methoxy-, hydrochloride (1:1)4-Methoxyaniline HClMFCD00036388CCRIS 47
Weitere Namen anzeigen
P-ANISIDINE HCLTIMTEC-BB SBB007919p-MethoxyanilineHCl4-anisidinehydrochloridep-anisylaminehydrochlorideOmeprazole Impurity 28 HClP-AMINOANISOL HYDROCHLORIDE
p-Anisidine monohydrochloride4-methoxyaniline;hydrochloridep-Methoxyaniline hydrochloride4-METHOXYBENZENAMINE HYDROCHLORIDEDTXSID3020093NCI-C03758p-Anisidine, hydrochloridep-methoxyanilinium chloride

Datenbank-Bezeichner

CAS
20265-97-8
PubChem CID
2734956

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

Polarare Oberfläche (TPSA)
35,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
10
Formalladung
0
Komplexität
77

Experimentelle und physikochemische Eigenschaften

Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Melting Point457 °F (NTP, 1992)
Physical DescriptionGrayish-black crystalline solid or brown crystals. (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
216 · 216-219 °C
storage temp.
30 °C · Store below +30°C.
Löslichkeit
DMSO (Slightly), Methanol (Slightly)
Aggregatzustand
Crystalline Powder
Farbe
Off-white to pinkish to gray-brown
Wasserlöslichkeit
within almost transparency
Stabilität
Hygroscopic
InChI
1S/C7H9NO.ClH/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H
InChIKey
VQYJLACQFYZHCO-UHFFFAOYSA-N

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 · 6 Einträge

Danger

H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

Gefahrenhinweise

Regulatory InformationChemical: Benzenamine, 4-methoxy-, hydrochloride
Other Safety InformationIMAP assessments - p-Anisidine and its hydrochloride: Human health tier II assessment
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes. (NTP, 1992)
Reactive GroupEthers
Reactivity Profile · 1 Eintrag

An acidic organic salt. Materials in this group are generally soluble in water. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible.

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenamine, 4-methoxy-, hydrochloride (1:1): ACTIVE

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

2-Chloro-5-methoxybenzoic acidN-(4-Methoxyphenyl)-N'-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)guanidine

Anbieter60 Anbieter

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Zugehörige Reaktionen

4
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 1702496
HRID 1702496als Eduktuspto-grants-1983_04
Reaktionsgleichung von HRID 1748486
HRID 1748486als Eduktuspto-grants-2015_10
Reaktionsgleichung von HRID 1756821
HRID 1756821als Eduktuspto-grants-1995_08
Reaktionsgleichung von HRID 1756822
HRID 1756822als Eduktuspto-grants-1995_08

Notizen zur Verbindung

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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
DTXSID
DTXSID3020093
ChEMBL
CHEMBL1524474
UNII
7C4R75N8VG
EC Number
243-657-0
SMILES
[Cl-].[N+H3]c1ccc(cc1)OC
CAS Datenbank
20265 · 20265-97-8(CAS DataBase Reference)
EPA chemische Informationen
p-Anisidine hydrochloride (20265-97-8)
Air and Water ReactionsThis chemical may be sensitive to prolonged exposure to air and light. Insoluble in water.
Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (92.9%)

Acute toxicity (ingestion) - category 4

Sicherheit und Schutzausrüstung

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.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
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)

Toxikologische Informationen

Carcinogen Classification · 6 Einträge

p-Anisidine hydrochloride

TR-116: Bioassay of p-Anisidine Hydrochloride for Possible Carcinogenicity (CASRN 20265-97-8) (1978 )

04/26/78

Equivocal Evidence

No Evidence

No Evidence

Sicherheitsdaten

wgk
WGK 3
tsca
TSCA listed
ridadr
2811
hs_code
29222900
RTECS-Nr.
BZ6600000
risk_code
33-26/27/28
Toxizität
mmo-sat 33 mg/plate ENMUDM 7(Suppl 5),1,85
hazard_code
T+
safety_code
45-36/37/39-28A-1
hazard_class
6.1
packing_group
III
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
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