Grundinformationen
- Standard-SMILES
NNC(=O)OCc1ccccc1- InChIKey
RXUBZLMIGSAPEJ-UHFFFAOYSA-N- Summenformel
- C8H10N2O2
- Durchschnittliche Molmasse
- 166,18 g/mol
- Monoisotopische Masse
- 166,07422757
Namen und Bezeichner
- Bevorzugter Name
- Benzyl carbazate
- IUPAC
- benzyl N-aminocarbamate
- Lokaler Name
- Benzylcarbazat
- Englischer Name
- Carbobenzoxyhydrazide
- Summenformel
- C8H10N2O2
- Molmasse
- 166.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
5331-43-1- PubChem CID
- 79242
- DTXSID
DTXSID1047447- ChEMBL
CHEMBL3187376- UNII
- H7GM2H55TC
- EC Number
- 226-230-3
- Nikkaji
- J298.013D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 64,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 144
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 65 · 65-68 °C (lit.)
- Siedepunkt
- 294.38 °C · 294.38°C (rough estimate)
- Dichte
- 1.2265 · 1.2265 (rough estimate)
- Brechungsindex
- 1.618 · 1.6180 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- DMSO, Methanol
- Aggregatzustand
- Solid
- pka
- 10.56 · 10.56±0.20(Predicted)
- Farbe
- Beige
- Wasserlöslichkeit
- Soluble in water (slightly), methanol and DMSO.
- BRN
- 1952982 · 1952982
- Major Application
- peptide synthesis
- InChI
- 1S/C8H10N2O2/c9-10-8(11)12-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
- InChIKey
- RXUBZLMIGSAPEJ-UHFFFAOYSA-N
- SMILES
- NNC(=O)OCc1ccccc1
- CAS Datenbank
- 5331 · 5331-43-1(CAS DataBase Reference)
- NIST chemische Informationen
- Hydrazinecarboxylic acid, phenylmethyl ester(5331-43-1)
- EPA chemische Informationen
- Hydrazinecarboxylic acid, phenylmethyl ester (5331-43-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (44.2%): Harmful if swallowed [Warning Acute toxicity, oral];H318 (57%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (43%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H372 (43%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
P260, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P305+P354+P338, P317, P319, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 86 reports by companies from 6 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
Regulatory Information
Hydrazinecarboxylic acid, phenylmethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hydrazinecarboxylic acid, phenylmethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Regulatorische Informationen
Regulatory Information
Hydrazinecarboxylic acid, phenylmethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hydrazinecarboxylic acid, phenylmethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29280000
- RTECS-Nr.
- MV1724950
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Dam. 1
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Hydrazinecarboxylic acid, phenylmethyl ester: ACTIVE
Anwendungen
VerwendenBenzyl Carbazate has been shown to prevent the occurrence of oligonucleosome-sized DNA fragmentation in the cell-free system.
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