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cis-3,4-difluoropyrrolidine hydrochloride - 97%, high purity , CAS No.869481-94-7
Basic Description
Synonyms
869481-94-7 | cis-3,4-Difluoropyrrolidine hydrochloride | CIS-3,4-DIFLUOROPYRROLIDINE HCL | (3S,4R)-rel-3,4-Difluoropyrrolidine hydrochloride | (3R,4S)-3,4-difluoropyrrolidine;hydrochloride | (3R,4S)-3,4-difluoropyrrolidine hydrochloride | MFCD20230545 | SCHEMBL1026466
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Nitrogen mustard compounds
Intermediate Tree Nodes
Not available
Direct Parent
Nitrogen mustard compounds
Alternative Parents
Pyrrolidines Dialkylamines Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Nitrogen mustard - Pyrrolidine - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Hydrochloride - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.
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.
Names and Identifiers
Pubchem Sid
504771864
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504771864
IUPAC Name
(3S,4R)-3,4-difluoropyrrolidine;hydrochloride
INCHI
InChI=1S/C4H7F2N.ClH/c5-3-1-7-2-4(3)6;/h3-4,7H,1-2H2;1H/t3-,4+;
InChIKey
JDUYOMPVOXGHIR-HKTIBRIUSA-N
Smiles
C1C(C(CN1)F)F.Cl
Isomeric SMILES
C1[C@H]([C@H](CN1)F)F.Cl
PubChem CID
66880882
Molecular Weight
143.56
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic
Molecular Weight
143.560 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
143.031 Da
Monoisotopic Mass
143.031 Da
Topological Polar Surface Area
12.000 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
58.700
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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
2
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