4-Bromo-3-chloro-2-methylaniline

HCID 7171911

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Grundinformationen

CAS: 627531-47-9
Standard-SMILES: Cc1c(N)ccc(Br)c1Cl
InChIKey: IAWSZYHMEPZGKK-UHFFFAOYSA-N
Summenformel: C7H7BrClN
Durchschnittliche Molmasse: 220,49 g/mol
Monoisotopische Masse: 218,94504

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-3-chloro-2-methylaniline
IUPAC: 4-bromo-3-chloro-2-methylaniline
Englischer Name: 4-Bromo-3-chloro-2-methylaniline
Summenformel: C7H7BrClN
Molmasse: 220.49

Namen und Synonyme

4-bromo-3-chloro-2-methylaniline627531-47-9DTXSID90428254RefChem:290831DTXCID20379088687-963-6MFCD073699994-bromo-3-chloro-2-methylbenzenamineBenzenamine, 4-bromo-3-chloro-2-methyl-4-bromo-3-chloro-2-methyl-anilineCAB531474-bromo-3-chloro-2-methyl-phenylamine

Weitere Namen anzeigen

6-Amino-3-bromo-2-chlorotoluene4-Bromo-3-chloro-2-methylaniline96%4-Bromo-3-chloro-2-methylaniline 98%4-amino-2-chloro-3-methylbromobenzene4-BROMO-3-CHLORO-2-METHYLANILINE, 95+%4-Bromo-3-chloro-2-methylaniline 4-Bromo-3-chloro-2-methylaniline

A8674FT-0644807DTXSID9042SCHEMBL767268BBL1001874-bromo-3-chloro-2-methylphenylamineAKOS015834842PS-7854

Datenbank-Bezeichner

CAS: 627531-47-9
PubChem CID: 7171911
DTXSID: DTXSID90428254
EC Number: 687-963-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 120

Physikochemische Eigenschaften

Schmelzpunkt: 55 ℃ · 55℃
Siedepunkt: 289.5 · 289.5±35.0 °C(Predicted)
Dichte: 1.619 · 1.619±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: solid
pka: 2.69 · 2.69±0.10(Predicted)
Farbe: Dark brown
InChI: InChI=1S/C7H7BrClN/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,10H2,1H3
InChIKey: IAWSZYHMEPZGKK-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(Br)C(Cl)=C1C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.；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.