Crotoxyphos - 100μg/ml in methanol , CAS No.7700-17-6

CAS: 7700-17-6 Cat. No.: C299518 Formula: C₁₄H₁₉O₆P Peso molecolare: 314.27 Numero EC: 231-720-5 PubChem CID: 5371578

GRADE & PURITY 100μg/ml in methanol

Synonyms

NSC-10118 | (Z)-3-(Dimethoxyphosphinyloxy)-2-butenoic acid 1-phenylethyl ester | Ciodrin | Duo-Kill | O,O-Dimethyl O-(1-methyl-2-carboxy-alpha-phenylethyl)vinyl phosphate | OMS 239 | Pantozol 1 | Shell SD 4294 | 1-phenylethyl (E)-3-dimethoxyphosphoryloxyb

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads,FedEx DG Service

Specifications

Sinonimi

NSC-10118 | (Z)-3-(Dimethoxyphosphinyloxy)-2-butenoic acid 1-phenylethyl ester | Ciodrin | Duo-Kill | O,O-Dimethyl O-(1-methyl-2-carboxy-alpha-phenylethyl)vinyl phosphate | OMS 239 | Pantozol 1 | Shell SD 4294 | 1-phenylethyl (E)-3-dimethoxyphosphoryloxyb

Specifiche e purezza

100μg/ml in methanol

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads,FedEx DG Service

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

• Sorrisi canonici: CC(C1=CC=CC=C1)OC(=O)C=C(C)OP(=O)(OC)OC
• IUPAC Name: 1-phenylethyl (E)-3-dimethoxyphosphoryloxybut-2-enoate
• InChIKey: XXXSILNSXNPGKG-ZHACJKMWSA-N
• INCHI: 1S/C14H19O6P/c1-11(20-21(16,17-3)18-4)10-14(15)19-12(2)13-8-6-5-7-9-13/h5-10,12H,1-4H3/b11-10+
• Isomeri SMILES: CC(C1=CC=CC=C1)OC(=O)/C=C(\C)/OP(=O)(OC)OC
• PubChem CID: 5371578
• Numero UN: 2810
• Peso molecolare: 314.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Fatty acid esters Dialkyl phosphates Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Fatty acid ester - Dialkyl phosphate - Organic phosphoric acid derivative - Fatty acyl - Phosphoric acid ester - Alkyl phosphate - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• External Descriptors: Organophosphorus insecticides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 314.270 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 314.092 Da
• Monoisotopic Mass: 314.092 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 406.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1