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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 79660Erstellt: 25. Oktober 2026

Benzylcyanformiat

BENZYL CYANOFORMATE · LABOTEST-BB LT00159972 · Benzyl cyanoforMate 97% · benzyl carbonocyanidate · phenylmethyl cyanoformate · phenylmethyl cyanomethanoate · CYANOFORMIC ACID BENZYL ESTER · Cyanidocarbonic acid benzyl ester

https://huagongshe.com/de/chemical/79660

Molekülstruktur von Benzylcyanformiat

Identifikatoren & physikalische Daten

CAS No.5532-86-5
SummenformelC9H7NO2
Durchschnittliche Molmasse161,16 g/mol
Monoisotopische Masse161,04767847 g/mol
SMILESN#CC(=O)OCc1ccccc1
InChIKeyGDZIODIYBLTRRJ-UHFFFAOYSA-N
PubChem CID79660
EC No.226-880-8
DTXSIDDTXSID10203883
Lokaler NameBenzylcyanformiat

Chemische & physikalische Eigenschaften

XLogP2,1
Polarare Oberfläche (TPSA)50,1
H-Brücken-Donoren0
H-Brücken-Akzeptoren3
Frei drehbare Bindungen3
Schwere Atome12
Formalladung0
Komplexität198
Siedepunkt66-67 °C/0.6 mmHg (lit.)
Dichte1.105 g/mL at 25 °C (lit.)
Brechungsindexn20/D 1.505(lit.)
Flammpunkt220 °F
Lagerbedingungen2-8°C
Aggregatzustandliquid
BRN1947475
InChI1S/C9H7NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,7H2
InChIKeyGDZIODIYBLTRRJ-UHFFFAOYSA-N
SMILESO=C(OCc1ccccc1)C#N

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 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.
Hazard Classes and CategoriesAcute Tox. 3 (100%)Skin Corr. 1B (100%)
F8-10-19-21
Wassergefährdungsklasse (WGK)3
UN-TransportnummerUN 2927 6.1/PG 2
R-Sätze (R)23/24/25-34
GefahrensymboleT
Sicherheitshinweise (S)26-36/37/39-45
Gefahrenklasse6.1(b)Acute Tox. 3 OralSkin Corr. 1B
VerpackungsgruppeIII
Lagerklasse6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials