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Home> Hot Product Listed P   > Pyrrolidine,1,1',1''-phosphinidynetris-
1953-04-4 structure

Pyrrolidine,1,1',1''-phosphinidynetris-

CAS No.:1953-04-4
Molecular Weight:368.26500
Molecular Formula:C20H30O2 (isomer)
Names and Identifiers
Synonyms

Phosphine, tri-1-pyrrolidinyl- Phosphorous acid tripyrrolidide Pyrrolidine,1,1',1''-phosphinidynetri- (7CI,8CI) Tripyrrolidinophosphine Tris(1-pyrrolidinyl)phosphine Tris(N,N-tetramethylene)phosphorous acid triamide Tris(N-pyrrolidinyl)phosphine Tris(pyrrolidino)phosphine

Inchi
InChI=1S/C17H21NO3.BrH/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17;/h3-6,12,14,19H,7-10H2,1-2H3;1H/t12-,14-,17-;/m0./s1
InChkey
QORVDGQLPPAFRS-XPSHAMGMSA-N
Canonical Smiles
CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O.Br
Isomers Smiles
CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O.Br
Properties
Density
1.323
Melting Point
256 °C
Vapour
0mmHg at 25°C
Refractive Index
-95 ° (C=1.4, H2O)
Flash Point
220.6 °C
Alpha
D20 -93.1° (c = 0.1015 in 15 ml H2O)
HS Code
29399990
Safety and Handling
Risk Statements
R25
Safety Statements
S45; S36/37/39; S22
HazardClass
6.1
PackingGroup
II
Transport
UN 2811 6.1/PG 3
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:368.26500g/mol
  • Molecular Formula:C20H30O2
  • Compound Is Canonicalized:True
  • Exact Mass:367.078
  • Monoisotopic Mass:367.078
  • Complexity:440
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:41.9A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB6MAAAEAAAAAAAAAAAAAAAASAAAAAwQAAABYAAAEixAAAAHgAACAAADhThmAYyBoMABgCA AiBCAACCCAAgIAAIiAAOjIgNNiKEsRuGeCrlwBGKuAew8P4PoAABAAAYQABAAAIAADCAAAAAAAAA AA==
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