Benzyltriphenylphosphonium chloride
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Basic information
- CAS
1100-88-5- Standard SMILES
[Cl-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1- InChIKey
USFRYJRPHFMVBZ-UHFFFAOYSA-M- Molecular formula
- C25H22ClP
- Average molar mass
- 388.9 g/mol
- Monoisotopic mass
- 388.1147654
Names & identifiers
- Preferred name
- Benzyltriphenylphosphonium chloride
- IUPAC
- benzyl(triphenyl)phosphanium chloride
- English name
- Benzyltriphenylphosphonium chloride
- Molecular formula
- C25H22ClP
- Molecular weight
- 388.87
Names & synonyms
Benzyltriphenylphosphonium chloridePhosphonium, triphenyl(phenylmethyl)-, chloride (1:1)DTXSID6051566Phosphonium, benzyltriphenyl-, chlorideEINECS 214-154-3NSC 116712DTXCID0030118RefChem:119019UN3464Phosphonium, benzyltriphenyl, chloridePhosphonium, benzyltriphenyl, chloride (8CI)Phosphonium, triphenyl(phenylmethyl), chloride
Show more names
BPPBTPPC(phenylmethyl)triphenyl-phosphoniuchlorideBTPPClAURORA KA-1173BenzyltriphenylphospBenzyltriphenylchlorophosphineTriphenylbenzylidenephosphoraneBENZYLIDENE(TRIPHENYL)PHOSPHORANE
Phosphonium, benzyltriphenyl-, chloride (8CI)214-154-31100-88-5Triphenylbenzylphosphonium chloridePhosphonium, triphenyl(phenylmethyl)-, chlorideMFCD00011913C25H22ClPbenzyl(triphenyl)phosphanium;chloride
Database identifiers
- CAS
1100-88-5- PubChem CID
- 70671
- DTXSID
DTXSID6051566- ChEMBL
CHEMBL3561634- UNII
- WM5533HY8L
- EC Number
- 214-154-3
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Melting point
- 300 °C · ≥300 °C (lit.)
- Density
- 1.18 g/cm3 · 1.18 g/cm3 (20℃)
- vapor pressure
- 0.1 hPa · 0.1 hPa
- Flash point
- 300 °C · 300°C
- storage temp.
- 20 °C · Store at <= 20°C.
- form
- Crystalline Powder
- color
- White to almost white
- Water Solubility
- SOLUBLE
- Sensitive
- Hygroscopic
- BRN
- 3599868 · 3599868
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C25H22P.ClH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1
- InChIKey
- USFRYJRPHFMVBZ-UHFFFAOYSA-M
- SMILES
- [Cl-].C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4
- LogP
- -0.7 at · -0.7 at 20℃
- CAS DataBase Reference
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TA2416500
- ridadr
- UN 2811 6.1/PG 2
- hs_code
- 29310095
- Toxicity
- LD50 orally in Rabbit: 43 mg/kg
- risk_code
- 25-36/37/38-24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS08,GHS09
- hazard_code
- T,Xi
- safety_code
- 26-36/37/39-45-36
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- target organs
- Lungs,nasal cavity, Respiratory system
- Hazard statements
- H300+H330-H318-H335-H372-H410
- Limited Quantities
- 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1STOT RE 1STOT SE 3
- Precautionary statements
- P260-P273-P280-P304+P340+P310-P305+P351+P338-P314
Chemistry & industry
Applications
UsesBenzyltriphenylphosphonium Chloride was used as a reagent in the organic synthesis of several compounds including that of stabilised phosphonium ylides containing saturated oxygen heterocycles. Also used in the synthesis of novel substituted cis-stilbene derivatives which display antimicrobial activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
42 records
Compound notes
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