Benzyltriphenylphosphonium chloride (HCID 70671)

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 properties

Topological polar surface area: 0 Å²
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: 1100 · 1100-88-5(CAS DataBase Reference)
FDA UNII: 5533 HY8L · WM5533HY8L
EPA Substance Registry System: Phosphonium, triphenyl(phenylmethyl)-, chloride (1100-88-5)
UNSPSC Code: 12352107 · 12352107
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06,GHS08,GHS09
Signal word: Danger
Hazard statements: 300 · H300+H330-H318-H335-H372-H410
Precautionary statements: 260 · P260-P273-P280-P304+P340+P310-P305+P351+P338-P314
target organs: Lungs,nasal cavity, Respiratory system
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: T,Xi
Risk Statements: 25 · 25-36/37/38-24/25
Safety Statements: 26 · 26-36/37/39-45-36
RIDADR: 2811 · UN 2811 6.1/PG 2
WGK Germany: 3 · 3
RTECS: 2416500 · TA2416500
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29310095 · 29310095
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 2 InhalationAcute · Acute Tox. 2 InhalationAcute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1STOT RE 1STOT SE 3
Toxicity: 50 orally · LD50 orally in Rabbit: 43 mg/kg
REACH Registrations: Active
Limited Quantities: 0.5 Kg · 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

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 · 1 item

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.