2,2'-(5-Bromomethyl-1,3-phenylene)di(2-methylpropiononitrile)

HCID 11522359

Grundinformationen

CAS
120511-84-4
Standard-SMILES
CC(C)(C#N)c1cc(CBr)cc(C(C)(C)C#N)c1
InChIKey
IHXHGCDOJLOZML-UHFFFAOYSA-N
Summenformel
C15H17BrN2
Durchschnittliche Molmasse
305,21 g/mol
Monoisotopische Masse
304,05751

Namen und Bezeichner

Bevorzugter Name
2,2'-(5-Bromomethyl-1,3-phenylene)di(2-methylpropiononitrile)
IUPAC
2-[3-(bromomethyl)-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile
Englischer Name
3,5-Bis(2-cyanoprop-2-yl)benzyl bromide
Summenformel
C15H17BrN2
Molmasse
305.21

Namen und Synonyme

2,2'-(5-BROMOMETHYL-1,3-PHENYLENE)DI(2-METHYLPROPIONONITRILE)RefChem:440134601-717-7120511-84-42,2'-(5-(Bromomethyl)-1,3-phenylene)bis(2-methylpropanenitrile)3,5-bis(2-cyanoprop-2-yl)benzyl bromideAnastrozole EP Impurity CMFCD07782114C15H17BrN2Anastrozole Impurity IV3,5-Bis(1-cyano-1-methylethyl)benzyl Bromide5-Bromomethyl anastrozole
Weitere Namen anzeigen
2,2'-[5-(Bromomethyl)benzene-1,3-diyl]bis(2-methylpropanenitrile)forAnastrozoleMethylpropiononitrile)Anastrozol EP impurity CAnastrozole EP Impuriyt Cα'-TetraMethyl-5-broMoMethyl-1Anastrozole Monobromo ImpurityAnastrozole USP Related Compound DBromobenzyl-bis-dimethylacetonitrile
OIS19A3U1G2-[3-(bromomethyl)-5-(1-cyano-1-methylethyl)phenyl]-2-methylpropanenitrile5-Bromomethyl anastrozole [USP]2,2'-(5-BROMOMETHYL-1,3-PHENYLENE)-DI-(2-METHYLPROPIONITRILE)AKOS015889686DS-15010CS-01793532-[3-(bromomethyl)-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile

Datenbank-Bezeichner

CAS
120511-84-4
PubChem CID
11522359
DTXSID
DTXSID30468018
UNII
OIS19A3U1G
EC Number
601-717-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,7
Polarare Oberfläche (TPSA)
47,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
18

Physikochemische Eigenschaften

Schmelzpunkt
98 · 98-100°C
Siedepunkt
380 · 380.0±37.0 °C(Predicted)
Dichte
1.276 · 1.276±0.06 g/cm3(Predicted)
storage temp.
2 · Inert atmosphere,2-8°C
Löslichkeit
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 12.5% (1 of 8) of reports.

Warning

H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (87.5%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (87.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 3 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 8 reports by companies.;There are 2 notifications provided by 7 of 8 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

Hazard Classes and CategoriesAcute Tox. 4 (87.5%);Acute Tox. 4 (87.5%);Acute Tox. 4 (87.5%)

Chemie und Industrie

Anbieter100 Anbieter

济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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