Benzylcyanformiat

Benzyl cyanoformate

HCID 79660CAS 5532-86-5

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Grundinformationen

Standard-SMILES: N#CC(=O)OCc1ccccc1
InChIKey: GDZIODIYBLTRRJ-UHFFFAOYSA-N
Summenformel: C9H7NO2
Durchschnittliche Molmasse: 161,16 g/mol
Monoisotopische Masse: 161,04767847

Namen und Bezeichner

Bevorzugter Name: Benzyl cyanoformate
IUPAC: benzyl cyanoformate
Lokaler Name: Benzylcyanformiat
Englischer Name: BENZYL CYANOFORMATE
Summenformel: C9H7NO2
Molmasse: 161.16

Namen und Synonyme

Benzyl cyanoformateCarbonocyanidic acid, phenylmethyl esterBJ8E5TW8ASEINECS 226-880-8DTXSID10203883PHENYLMETHYL CARBONOCYANIDATERefChem:118864DTXCID40126374226-880-8GDZIODIYBLTRRJ-UHFFFAOYSA-N5532-86-5benzyl carbonocyanidate

Weitere Namen anzeigen

LABOTEST-BB LT00159972Benzyl cyanoforMate 97%phenylmethyl cyanomethanoateCYANOFORMIC ACID BENZYL ESTERCyanidocarbonic acid benzyl esterCarbonocyanidic acid benzyl esterCarbonocyanidic acid phenylmethyl ester

MFCD00001835phenylmethyl cyanoformatebenzylcyanoformatbenzylcarbonocyanidateUNII-BJ8E5TW8ASBenzyl cyanoformate, 97%SCHEMBL1400119FAA53286

Datenbank-Bezeichner

CAS: 5532-86-5
PubChem CID: 79660
DTXSID: DTXSID10203883
UNII: BJ8E5TW8AS
EC Number: 226-880-8
Nikkaji: J210.575F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 50,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 198

Physikochemische Eigenschaften

Siedepunkt: 66 · 66-67 °C/0.6 mmHg (lit.)
Dichte: 1.105 g/mL · 1.105 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.505(lit.)
Flammpunkt: 220 °F · 220 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
BRN: 1947475 · 1947475
InChI: 1S/C9H7NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,7H2
InChIKey: GDZIODIYBLTRRJ-UHFFFAOYSA-N
SMILES: O=C(OCc1ccccc1)C#N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (100%)；Skin Corr. 1B (100%)；Acute Tox. 3 (100%)

Sicherheitsdaten

F: 8-10-19-21
wgk: 3
ridadr: UN 2927 6.1/PG 2
risk_code: 23/24/25-34
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 6.1(b)
packing_group: III
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 3 OralSkin Corr. 1B