Tris(2-cyanoethyl)phosphine
Basic information
- CAS
4023-53-4- Standard SMILES
N#CCCP(CCC#N)CCC#N- InChIKey
CHZAMJVESILJGH-UHFFFAOYSA-N- Molecular formula
- C9H12N3P
- Average molar mass
- 193.19 g/mol
- Monoisotopic mass
- 193.07688439
Names & identifiers
- Preferred name
- Tris(2-cyanoethyl)phosphine
- IUPAC
- 3-[bis(2-cyanoethyl)phosphanyl]propanenitrile
- English name
- Tris(2-cyanoethyl)phosphine
- Molecular formula
- C9H12N3P
- Molecular weight
- 193.19
Names & synonyms
Tris(2-cyanoethyl)phosphine4023-53-43,3',3''-phosphinetriyltripropanenitrile3-[bis(2-cyanoethyl)phosphanyl]propanenitrilePropanenitrile, 3,3',3''-phosphinidynetris-EINECS 223-687-0NSC 41940846HYB5W2BPhosphine, tris(2-cyanoethyl)-NSC-41940Propionitrile, 3,3',3''-phosphinidynetri-3,3',3''-Phosphinidynetris[propanenitrile]
Show more names
AURORA KA-1114Tri(2-cyanoethyl)phosphineTris-(2-cyanoethyl)phophineTris(2-cyanoethyl)phosphine,94%TCEPTris(2-cyanoethyl)phosphineTCP Tris(2-cyanoethyl)phosphineTRIS(2-CYANOETHYL)PHOSPHINE 92+%Tris(2-cyanoethyl)phosphine(TCP)Tris(2-cyanoethyl)phosphine（TCEP）
DTXSID20632683,3',3''-Phosphinidynetris(propanenitrile)3-(bis(2-cyanoethyl)phosphanyl)propanenitrileRefChem:192084DTXCID9039737223-687-0tris-(2-cyanoethyl)phosphineTris-(2-cyanoethyl)-phosphine
Database identifiers
- CAS
4023-53-4- PubChem CID
- 77639
- DTXSID
DTXSID2063268- UNII
- 846HYB5W2B
- EC Number
- 223-687-0
- Nikkaji
- J209.002C
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 97 · 97-98°C
- Boiling point
- 235 °C · 235°C 0,9mm
- Flash point
- 235 °C/0.9mm · 235°C/0.9mm
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- crystal
- color
- white
- Water Solubility
- Soluble in DMSO, and DMF. Insoluble in water.
- Sensitive
- Air & Moisture Sensitive
- Exposure limits
- 0.1 ppm; · ACGIH: TWA 0.1 ppm; STEL 0.3 ppmOSHA: TWA 0.75 ppm; STEL 2 ppmNIOSH: IDLH 20 ppm; TWA 0.016 ppm; Ceiling 0.1 ppm
- InChI
- InChI=1S/C9H12N3P/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-3,7-9H2
- InChIKey
- CHZAMJVESILJGH-UHFFFAOYSA-N
- SMILES
- P(CCC#N)(CCC#N)CCC#N
- CAS DataBase Reference
- 4023 · 4023-53-4(CAS DataBase Reference)
- FDA UNII
- 846 HYB5W2B · 846HYB5W2B
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (71.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (71.4%)
Safety data
- tsca
- TSCA listed
- ridadr
- UN3464
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- safety_code
- 36/37/39-45-36-26
- hazard_class
- 6.1
- packing_group
- II
- Hazard statements
- H300-H315-H319-H330-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P301+P310a-P304+P340-P305+P351+P338-P320-P330-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3,3',3''-phosphinidynetris-: ACTIVE
Applications
UsesTris(2-cyanoethyl)phosphine is used to produce 3,3',3''-phosphanetriyl-tri-propionic acid and hydrochloride by heating. It will need reagent conc. aq. HCl with reaction.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
8 records
Compound notes
Loading…