Triphosgene - ≥99% , CAS No.32315-10-9

CAS: 32315-10-9 Cat. No.: T103041 분자식: C₃Cl₆O₃ 분자량: 296.75 Beilstein Registry Number: 1787583 EC 번호: 250-986-3 PubChem CID: 94429

등급 & 순도 ≥99%

Synonyms

AKOS005721144 | EINECS 250-986-3 | Methanol, trichloro-, carbonate (2:1) | T1467 | 2-Propen-1-ol, 3-phenyl-, benzoate, (E)- | SCHEMBL5427 | 2-styrylbenzimidazole | Bis(trichloromethyl) carbonate, purum, >=99.0% (AT) | J-018701 | D97673 | Q421346 | (2E)-3-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

개요

Solid phosgene substitute for a variety of applications, including the one-pot preparation of allyl azides from allyl alcohols and sodium azide, and the preparation of the esterification coupling reagent, di-2-thienyl carbonate, from 2(5H)-thiophenone. Used in the preparation of 2-chloronicotinaldehydes via cyclization of the corresponding enamides. Useful substitute for phosgene.

사양

동의어

AKOS005721144 | EINECS 250-986-3 | Methanol, trichloro-, carbonate (2:1) | T1467 | 2-Propen-1-ol, 3-phenyl-, benzoate, (E)- | SCHEMBL5427 | 2-styrylbenzimidazole | Bis(trichloromethyl) carbonate, purum, >=99.0% (AT) | J-018701 | D97673 | Q421346 | (2E)-3-

사양 및 순도

≥99%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice,FedEx DG Service

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순수함

≥99%

이름과 식별자

Pubchem Sid

508811462

정식 스마일

C(=O)(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl

IUPAC Name

bis(trichloromethyl) carbonate

InChIKey

UCPYLLCMEDAXFR-UHFFFAOYSA-N

INCHI

1S/C3Cl6O3/c4-2(5,6)11-1(10)12-3(7,8)9

이성체 SMILES

C(=O)(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl

WGK 독일

2

PubChem CID

94429

UN 번호

2928

포장 그룹

II

분자량

296.75

Beilstein

1787583

Reaxy-Rn

1787583

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Organic carbonic acids and derivatives
      • Subclass Carbonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Organic carbonic acids and derivatives
• Subclass: Carbonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbonic acid diesters
• Alternative Parents: Trihalomethanes Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid diester - Trihalomethane - Organic oxygen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as carbonic acid diesters. These are compounds comprising the carbonic acid diester functional group.
• External Descriptors: Not available

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

• 용해성: Soluble in ether, ethanol, tetrahydrofuran, benzene, cyclohexane, chloroform, hexane, carbon tetrachloride, dichloromethane and chlorobenzene. Insoluble in water.
• 감도: heat sensitive; light sensitive;Moisture sensitive
• 끓는점(°C): 205-206°C
• 녹는점(°C): 79-81°C
• 분자량: 296.700 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 295.795 Da
• Monoisotopic Mass: 293.798 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1