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

CAS: 7700-17-6 Cat. No.: C299518 분자식: C₁₄H₁₉O₆P 분자량: 314.27 EC 번호: 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

동의어

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

사양 및 순도

100μg/ml in methanol

보관 조건

Store at -20°C

배송

Ice chest + Ice pads,FedEx DG Service

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이름과 식별자

• 정식 스마일: 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+
• 이성체 SMILES: CC(C1=CC=CC=C1)OC(=O)/C=C(\C)/OP(=O)(OC)OC
• PubChem CID: 5371578
• UN 번호: 2810
• 분자량: 314.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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