tert-butyl N-(4-chlorophenyl)carbamate

HCID 546372CAS 18437-66-6

Grundinformationen

Standard-SMILES
CC(C)(C)OC(=O)Nc1ccc(Cl)cc1
InChIKey
VFEHOBXXLPHSOI-UHFFFAOYSA-N
Summenformel
C11H14ClNO2
Durchschnittliche Molmasse
227,69 g/mol
Monoisotopische Masse
227,0713064

Namen und Bezeichner

Bevorzugter Name
tert-butyl N-(4-chlorophenyl)carbamate
IUPAC
tert-butyl N-(4-chlorophenyl)carbamate
Englischer Name
4-Chloro-(N-Boc)aniline 97
Summenformel
C11H14ClNO2
Molmasse
227.69

Namen und Synonyme

tert-butyl N-(4-chlorophenyl)carbamateRefChem:896130674-120-218437-66-6tert-Butyl (4-chlorophenyl)carbamaten-boc-4-chloroanilinetert-Butyl 4-chlorophenylcarbamate4-Chloro-(N-Boc)anilineMFCD00816772N-tert-Butoxycarbonyl-4-chloroanilinetert-butyl4-chlorophenylcarbamatetert-Butyl(4-chlorophenyl)carbamate
Weitere Namen anzeigen
4-Chloro-(NN-Boc)anilineert-butylN-(4-chlorophenyl)carbamate
4-Chloro-N-Boc-anilineMaybridge1_008229SCHEMBL1972544-Chloro-(N-Boc)Aniline 97HMS564O01DTXSID90338102tert-butyl-4-chlorophenylcarbamate4-Chloro-(N-Boc)aniline, 97%

Datenbank-Bezeichner

CAS
18437-66-6
PubChem CID
546372
DTXSID
DTXSID90338102
EC Number
674-120-2
Nikkaji
J432.129D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,6
Polarare Oberfläche (TPSA)
38,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
15

Physikochemische Eigenschaften

Schmelzpunkt
102 · 102-106 °C (lit.)
Siedepunkt
265.2 · 265.2±23.0 °C(Predicted)
Dichte
1.195 · 1.195±0.06 g/cm3(Predicted)
storage temp.
Store at room temperature
Aggregatzustand
Crystalline Powder
pka
12.99 · 12.99±0.70(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (50%): 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.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;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.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 29-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27231
Hazard Classes and CategoriesAcute Tox. 4 (50%);Acute Tox. 4 (50%);Skin Irrit. 2 (50%);Eye Irrit. 2 (50%);Acute Tox. 4 (50%);STOT SE 3 (50%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 29-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27231

Sicherheitsdaten

wgk
3
hs_code
29242998
safety_code
22-24/25
Speicherklasse
13 - Non Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden4-Chloro-(N-Boc)aniline may be used in the synthesis of:4-[[9–chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]-amino] benzoic acid(MLN8054)5-(4-aminophenyl)-3H-1,2-dithiol-3-thione(E)(4(prop-1-en-1-yl)phenyl)carbamate

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