HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 157641Erstellt: 27. Oktober 2026

5-Amino-6-Chloro-o-Cresol

5-AMINO-6-CHLORO-O-CRESOL · 6-chloro-5-amino-o-cresol · CAOC · 5-AMINO-6-CHLORO-2-METHYLPHENOL · 2-METHYL-5-AMINO-6-CHLOROPHENOL · 3-AMINO-2-CHLORO-6-METHYLPHENOL · 2-METHYL-5-AMINO-6-CH · Adrenaline Impurity 102

https://huagongshe.com/de/chemical/157641

Molekülstruktur von 5-Amino-6-Chloro-o-Cresol

Identifikatoren & physikalische Daten

CAS No.	84540-50-1
Summenformel	C7H8ClNO
Durchschnittliche Molmasse	157,6 g/mol
Monoisotopische Masse	157,02944156 g/mol
SMILES	Cc1ccc(N)c(Cl)c1O
InChIKey	XYRDGCCCBJITBH-UHFFFAOYSA-N
PubChem CID	157641
EC No.	283-144-9
DTXSID	DTXSID80233531

Chemische & physikalische Eigenschaften

XLogP	1,9
Polarare Oberfläche (TPSA)	46,3
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	10
Formalladung	0
Komplexität	120
Kosmetika	Cosmetic ingredients (5-Amino-6-Chloro-o-Cresol) -> CIR (Cosmetic Ingredient Review)AntimicrobialHair dyeing
Schmelzpunkt	80-83°C
Siedepunkt	262.7±35.0 °C(Predicted)
Dichte	1.331±0.06 g/cm3(Predicted)
Dampfdruck	0.061-2.2Pa at 20-50℃
Lagerbedingungen	2-8°C
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	8.89±0.15(Predicted)
Farbe	White to Orange to Green
Kosmetik-Inhaltsstoffe Funktionen	ANTIMICROBIALCOLORANTHAIR DYEING
InChI	InChI=1S/C7H8ClNO/c1-4-2-3-5(9)6(8)7(4)10/h2-3,10H,9H2,1H3
InChIKey	XYRDGCCCBJITBH-UHFFFAOYSA-N
SMILES	C1(O)=C(C)C=CC(N)=C1Cl
LogP (Verteilungskoeffizient)	1.644 at 23℃ and pH7.27
Oberflächenspannung	63.1mN/m at 1g/L and 21℃
CAS Datenbank	84540-50-1(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 84 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Status: Active Update: 05-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21096Phenol, 3-amino-2-chloro-6-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Acute Tox. 4 (97.6%)
Toxizitätsübersicht	<p>The Expert Panel for Cosmetic Ingredient Safety concluded that 5-Amino-6-Chloro-o-Cresol is safe for use as a hair dye ingredient in the present practices of use and concentration described in this safety assessment.</p>Safe for use in cosmetics, with qualifications
Zollcode	2922290090
R-Sätze (R)	22-36
Gefahrensymbole	Xi,Xn
hazard_note	Irritant

CAS No.

84540-50-1

Summenformel

C7H8ClNO

Durchschnittliche Molmasse

157,6 g/mol

Monoisotopische Masse

157,02944156 g/mol

SMILES

Cc1ccc(N)c(Cl)c1O

InChIKey

XYRDGCCCBJITBH-UHFFFAOYSA-N

PubChem CID

157641

EC No.

283-144-9

DTXSID

DTXSID80233531

Chemische & physikalische Eigenschaften

XLogP

1,9

Polarare Oberfläche (TPSA)

46,3

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

120

Kosmetika

Cosmetic ingredients (5-Amino-6-Chloro-o-Cresol) -> CIR (Cosmetic Ingredient Review)AntimicrobialHair dyeing

Schmelzpunkt

80-83°C

Siedepunkt

262.7±35.0 °C(Predicted)

Dichte

1.331±0.06 g/cm3(Predicted)

Dampfdruck

0.061-2.2Pa at 20-50℃

Lagerbedingungen

2-8°C

Aggregatzustand

powder to crystal

pKa (Säurekonstante)

8.89±0.15(Predicted)

Farbe

White to Orange to Green

Kosmetik-Inhaltsstoffe Funktionen

ANTIMICROBIALCOLORANTHAIR DYEING

InChI

InChI=1S/C7H8ClNO/c1-4-2-3-5(9)6(8)7(4)10/h2-3,10H,9H2,1H3

InChIKey

XYRDGCCCBJITBH-UHFFFAOYSA-N

SMILES

C1(O)=C(C)C=CC(N)=C1Cl

LogP (Verteilungskoeffizient)

1.644 at 23℃ and pH7.27

Oberflächenspannung

63.1mN/m at 1g/L and 21℃

CAS Datenbank

84540-50-1(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 84 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Regulatorische Informationen

Status: Active Update: 05-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21096Phenol, 3-amino-2-chloro-6-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories

Acute Tox. 4 (97.6%)

Toxizitätsübersicht

<p>The Expert Panel for Cosmetic Ingredient Safety concluded that 5-Amino-6-Chloro-o-Cresol is safe for use as a hair dye ingredient in the present practices of use and concentration described in this safety assessment.</p>Safe for use in cosmetics, with qualifications

Zollcode

2922290090

R-Sätze (R)

22-36

Gefahrensymbole

Xi,Xn

hazard_note

Irritant