4-Chlor-o-kresol

4-CHLORO-O-CRESOL · 97-99℃ · ai3-24520 · 4-chloro-o-creso · 4-CHLORO-2-CRESOL · p-Chloro-o-cresol · 4-chloro-0-cresol · o-Cresol, 4-chloro-

https://huagongshe.com/de/chemical/14855

Identifikatoren & physikalische Daten

CAS No.	1570-64-5
Summenformel	C7H7ClO
Durchschnittliche Molmasse	142,58 g/mol
Monoisotopische Masse	142,01854252 g/mol
SMILES	Cc1cc(Cl)ccc1O
InChIKey	RHPUJHQBPORFGV-UHFFFAOYSA-N
PubChem CID	14855
ChEMBL	CHEMBL194121
ChEBI	CHEBI:1800
EC No.	216-381-3
DTXSID	DTXSID5022510
Lokaler Name	4-Chlor-o-kresol

Chemische & physikalische Eigenschaften

XLogP	2,8
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	9
Formalladung	0
Komplexität	94,9
Stoffklassen	Other Classes -> Chlorophenols
SpringerMaterials Properties	Nuclear quadrupole resonance spectroscopy
Pestizide	Environmental transformation -> Pesticide transformation products (metabolite, successor)Pesticide degradation product
LogP (Verteilungskoeffizient)	log Kow = 2.783.09
Geruch	Mild, phenolic odor
Dichte	1.2 g/cu cm0.48 g/cm³1.20
Color/Form	Needles from petroleum etherPale yellow solid
Löslichkeit	less than 1 mg/mL at 59 °F (NTP, 1992)Sol in petroleum etherIn water, 4.00X10+3 mg/l @ 25 °CSolubility in water, g/100ml at 20 °C: 0.23<0.1 g/100 mL at 15 ºC
Flammpunkt	greater than 235 °F (NTP, 1992)78 °C>230 °F
Endocrine Disruptors	Potential endocrine disrupting compound
Siedepunkt	432 to 437 °F at 760 mmHg (NTP, 1992)223 °C231 °C220-225 °C(lit.)
Decomposition	When heated to decomp it emits toxic fumes of /hydrogen chloride/ and phosgene.
Schmelzpunkt	43-46 °C(lit.)
Dampfdruck	26.66Pa at 19.85℃
Brechungsindex	1.5449 (estimate)
Lagerbedingungen	Inert atmosphere,Room Temperature
pKa (Säurekonstante)	9.87±0.18(Predicted)
Aggregatzustand	crystals
Farbe	white to brown
BRN	1906684
Henry-Konstante	8.7×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Hauptanwendungen	agricultureenvironmental
InChI	1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKey	RHPUJHQBPORFGV-UHFFFAOYSA-N
SMILES	Cc1cc(Cl)ccc1O
LogP (Verteilungskoeffizient)	3.09 at 20℃
CAS Datenbank	1570-64-5(CAS DataBase Reference)
NIST chemische Informationen	Phenol, 4-chloro-2-methyl-(1570-64-5)
EPA chemische Informationen	4-Chloro-2-methylphenol (1570-64-5)

Sicherheit & Vorschriften

EG-Einstufung
GHS-Einstufung	DangerH314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Regulatorische Informationen	Chemical: Phenol, 4-chloro-2-methyl-Status: Active Update: 29-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19174-Chloro-2-cresol: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
DOT-Kennzeichnung	Poison
Brandgefahren	This chemical is probably combustible. (NTP, 1992)
Gesundheitsgefahren	SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
Gefahrenübersicht	A skin, eye, and mucous membrane irritant[CAMEO] A corrosive substance that can cause injury to the skin and eyes, based on animal studies[CHEMINFO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractCan cause pulmonary edema[ICSC] Chlorocresol causes contact urticaria (both immune and non-immune)[Kanerva, p. 219] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[MSDSonline] See CHLOROPHENOLS. See p-Chloro-m-cresol.
Reaktive Gruppe	Phenols and Cresols