2-Chlor-1,4-benzoldiamin

ci76065 · c.i.76065 · ursolbrowno · TIMTEC-BB SBB007575 · 3-chlor-p-fenylendiamin · 2-chlor-p-fenylendiamin · 3-chloro-4-aminoaniline · 4-Amino-2-chloroaniline

https://huagongshe.com/de/chemical/11998

Molekülstruktur von 2-Chlor-1,4-benzoldiamin

Identifikatoren & physikalische Daten

CAS No.	615-66-7
Summenformel	C6H7ClN2
Durchschnittliche Molmasse	142,58 g/mol
Monoisotopische Masse	142,0297759 g/mol
SMILES	Nc1ccc(N)c(Cl)c1
InChIKey	MGLZGLAFFOMWPB-UHFFFAOYSA-N
PubChem CID	11998
ChEMBL	CHEMBL1619318
ChEBI	CHEBI:76598
EC No.	210-441-2
DTXSID	DTXSID3043944
Lokaler Name	2-Chlor-1,4-benzoldiamin

Chemische & physikalische Eigenschaften

XLogP	1,6
Polarare Oberfläche (TPSA)	52
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	9
Formalladung	0
Komplexität	97,1
Stoffklassen	Nitrogen Compounds -> Amines, Aromatic
Kosmetika	Cosmetic ingredients (2-Chloro-p-Phenylenediamine) -> CIR (Cosmetic Ingredient Review)Hair dyeing
Physical Description	Solid[MSDSonline]
Collision Cross Section	131.4 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID0020284]
Schmelzpunkt	62-66 °C
Siedepunkt	232.49°C (rough estimate)
Dichte	1.2124 (rough estimate)
Dampfdruck	0.274Pa at 25℃
Brechungsindex	1.5210 (estimate)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit	DMSO, Methanol (Slightly)49.61g/L at 25℃
Aggregatzustand	Solid
pKa (Säurekonstante)	4.80±0.10(Predicted)
Farbe	Very Dark Green to Black
Kosmetik-Inhaltsstoffe Funktionen	HAIR DYEING
LogP (Verteilungskoeffizient)	0.44 at 20℃
CAS Datenbank	615-66-7(CAS DataBase Reference)
EPA chemische Informationen	1,4-Benzenediamine, 2-chloro- (615-66-7)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302: Harmful if swallowed [Warning Acute toxicity, oral]
Regulatorische Informationen	Chemical: 1,4-Benzenediamine, 2-chloro-Status: Cease Manufacture Update: 30-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/175181,4-Benzenediamine, 2-chloro-: 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.
Weitere Sicherheitsinformationen	IMAP assessments - 2-Chloro-1,4-benzenediamine: Human health tier II assessment
Gefahrenübersicht	A reproductive effector and moderate eye irritant[RTECS] Not a sensitizer in animal testingEmergency treatment: see p-Phenylenediamine. [HSDB] An irritant[MSDSonline]
Special Reports	Final Report on the safety assessment of 2-chloro-p-phenylenediamine and 2-chloro-p-phenylenediamine sulfate. J Am Coll Toxicol 11(4) 521-30 (1992).Bioassay of 2-Chlorophenylenediamine Sulfate for Possible Carcinogenicity (1978) Technical Rpt Series No. 113 DHEW Pub No. (NIH) 78-1368, U.S. Department of Health Education and Welfare, National Cancer Institute, Bethesda, MD 20014
Hazard Classes and Categories	Acute Tox. 4 (100%)Acute toxicity (ingestion) - category 4
Unerwünschte Wirkungen	Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Anwendungen & Verwendung

Verwenden

This compound had some uses in hair dye formulations.