3-(Chlormethyl)pyridin-hydrochlorid

3-(CHLOROMETHYL)PYRIDINE HYDROCHLORIDE · nci-c03838 · 3-pyridine. HCl · WLN: T6NJ C1G &GH · 3-PicolylChlorideHcl · 3-Picolyl chloride h · Picolyl Chloride Hcl · Rupatadine impurity 10

https://huagongshe.com/de/chemical/23394

Molekülstruktur von 3-(Chlormethyl)pyridin-hydrochlorid

Identifikatoren & physikalische Daten

CAS No.	6959-48-4
Summenformel	C6H6ClN.ClH
Durchschnittliche Molmasse	164,03 g/mol
Monoisotopische Masse	162,99555458 g/mol
SMILES	Cl.ClCc1cccnc1
InChIKey	UZGLOGCJCWBBIV-UHFFFAOYSA-N
PubChem CID	23394
ChEMBL	CHEMBL3182495
EC No.	230-150-4
DTXSID	DTXSID6020309
Lokaler Name	3-(Chlormethyl)pyridin-hydrochlorid

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	12,9
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	9
Formalladung	0
Komplexität	65,5
Stoffklassen	Nitrogen Compounds -> Pyridines
Löslichkeit	greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)>=10 g/100 mL at 19 ºC
Decomposition	When heated to decomposition it emits toxic fumes of /nitrogen oxides/ and /chlorides/.
Schmelzpunkt	286 to 291 °F (NTP, 1992)137-143 °C137-143 °C(lit.)
Physical Description	3-(chloromethyl)pyridine hydrochloride appears as yellow powder or yellow-tan solid with an irritating odor. (NTP, 1992)Yellow or tannish-yellow solid with an irritating odorHygroscopic[CAMEO] Off-white powder[MSDSonline]
Lagerbedingungen	Inert atmosphere,2-8°C
Aggregatzustand	Crystalline Needles or Powder
Farbe	White to beige
BRN	3689156
InChI	InChI=1S/C6H6ClN.ClH/c7-4-6-2-1-3-8-5-6/h1-3,5H,4H21H
InChIKey	UZGLOGCJCWBBIV-UHFFFAOYSA-N
SMILES	C1(CCl)C=NC=CC=1.Cl
CAS Datenbank	6959-48-4(CAS DataBase Reference)
EPA chemische Informationen	3-(Chloromethyl)pyridine hydrochloride (6959-48-4)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	3-(Chloromethyl)pyridinium chloride: Does not have an individual approval but may be used under an appropriate group standard
DOT-Kennzeichnung	Poison
Brandgefahren	Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992)
Gesundheitsgefahren	SYMPTOMS: Symptoms of exposure to this compound include irritation of the skin, eyes, mucous membranes and upper respiratory tract. Symptoms of exposure to a similar compound include a burning sensation, coughing, wheezing, laryngitis shortness of breath, headache, nausea and vomiting.
Gefahrenübersicht	Emergency treatment: PyridinePyridine is an irritant that causes CNS depression after ingestion of 1/2 cup or inhalation of 6-12 ppmIt can cause liver and kidney injury[HSDB] A skin, eye, and respiratory tract irritant[CAMEO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractMay cause skin sensitizationInhalation may cause chemical pneumonitis[Alfa Aesar MSDS] See Pyridine.
Reaktive Gruppe	Amines, Phosphines, and Pyridines
Special Reports	Bioassay of 3-(Chloromethyl)pyridine hydrochloride for Possible Carcinogenicity (1978) Technical Rpt Series No. 95 DHEW Pub No. (NIH) 78-1345, U.S. Department of Health Education and Welfare, National Cancer Institute, Bethesda, MD 20014
Reactivity Profile	3-(CHLOROMETHYL)PYRIDINE HYDROCHLORIDE is incompatible with strong oxidizing agents and strong bases. (NTP, 1992)