3-Chlor-p-kresol

3-Chloro-4-methylphenol

HCID 14853CAS 615-62-3

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Grundinformationen

Standard-SMILES: Cc1ccc(O)cc1Cl
InChIKey: VQZRLBWPEHFGCD-UHFFFAOYSA-N
Summenformel: C7H7ClO
Durchschnittliche Molmasse: 142,58 g/mol
Monoisotopische Masse: 142,0185425

Namen und Bezeichner

Bevorzugter Name: 3-Chloro-4-methylphenol
IUPAC: 3-chloro-4-methylphenol
Lokaler Name: 3-Chlor-p-kresol
Englischer Name: 3-Chloro-4-methylphenol
Summenformel: C7H7ClO
Molmasse: 142.58

Namen und Synonyme

3-Chloro-4-methylphenol615-62-3Phenol, 3-chloro-4-methyl-EINECS 210-439-1NSC 157351DTXSID9060655RefChem:93443DTXCID4043064VQZRLBWPEHFGCD-UHFFFAOYSA-N3-Chloro-p-cresolp-Cresol, 3-chloro-3-chloro-4-methyl-phenol

Weitere Namen anzeigen

2-Chloro-4-hydroxytoluene3-Chloro-4-methylphenol 98%3-Chloro-4-methylphenol, CAS 615-62-32-Chloro-4-hydroxytoluene, 3-Chloro-p-cresol

MFCD0006031947HY68GZ7QNSC-157351NSC157351UNII-47HY68GZ7QSCHEMBL305945SCHEMBL1379775SCHEMBL2841487

Datenbank-Bezeichner

CAS: 615-62-3
PubChem CID: 14853
DTXSID: DTXSID9060655
UNII: 47HY68GZ7Q
EC Number: 210-439-1
Nikkaji: J95.369E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 94

Physikochemische Eigenschaften

Schmelzpunkt: 48 · 48-53 °C
Siedepunkt: 228 °C · 228 °C
Dichte: 0 · 0,963g/cm
Brechungsindex: 1 · 1,403
Flammpunkt: 228 °C · 228°C
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to lump
pka: 9.3 · 9.30±0.18(Predicted)
Farbe: Light yellow to Amber to Dark green
InChI: InChI=1S/C7H7ClO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3
InChIKey: VQZRLBWPEHFGCD-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(C)C(Cl)=C1
CAS Datenbank: 615 · 615-62-3(CAS DataBase Reference)
EPA chemische Informationen: 3 · Phenol, 3-chloro-4-methyl- (615-62-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (98%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (98%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.