CAS 1034-49-7 Phosphonium, (bromomethyl)triphenyl-, bromide (1:1) (HCID 2733422)

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Basic information

CAS: 1034-49-7
Standard SMILES: BrC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: YFTMLUSIDVFTKU-UHFFFAOYSA-M
Molecular formula: C19H17Br2P
Average molar mass: 436.1 g/mol
Monoisotopic mass: 433.94346137

Names & identifiers

Preferred name: Phosphonium, (bromomethyl)triphenyl-, bromide (1:1)
IUPAC: bromomethyl(triphenyl)phosphanium bromide
English name: (Bromomethyl)triphenylphosphonium bromide
Molecular formula: C19H17Br2P
Molecular weight: 436.12

Names & synonyms

1034-49-7RefChem:1095219Phosphonium, (bromomethyl)triphenyl-, bromide (1:1)MFCD00011864C19H17Br2PPhosphonium, (bromomethyl)triphenyl-, bromide(Bromomethyl)triphenylphosphoniumbromidebromomethyl(triphenyl)phosphanium;bromidebromomethyltriphenylphosphonium bromidebromomethyl triphenylphosphonium bromidebromomethyltriphenyl phosphonium bromideCS-W009666

Show more names

NSC 193751bromomethyl(triphenyl)phosphaniumTriphenyl(bromomethyl)phosphonium(BROMOMETHYL)TRIPHENYLPHOSPHONIUM &(Bromomethyl)triphenylphosphonium bromide(bromomethyl)triphenylphosphanium bromide(Bromomethyl)triphenylphosphonium bromide,98%(BROMOMETHYL)TRIPHENYLPHOSPHONIUM BROMIDE 98%(Bromomethyl)triphenylphosphonium Bromide >Phosphonium,(bromomethyl)triphenyl-, bromide (1:1)

(BROMOMETHYL)TRIPHENYLPHOSPHONIUMF50203bromomAM84312FT-0623251SCHEMBL320149DTXSID80908358MSK168139

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 253

Physicochemical properties

Melting point: 234 · 234-236 °C (lit.)
storage temp.: Inert atmosphere,Room Temperature
form: Powder
color: Light beige to pink
Water Solubility: almost transparency
BRN: 3579901 · 3579901
InChI: InChI=1S/C19H17BrP.BrH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H/q+1;/p-1
InChIKey: YFTMLUSIDVFTKU-UHFFFAOYSA-M
SMILES: [P+](CBr)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Br-]
CAS DataBase Reference: 1034 · 1034-49-7(CAS DataBase Reference)
UNSPSC Code: 12352002 · 12352002
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 3-10
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29319019
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-28
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesReactant or reagent for synthesis of: Vernonia allenes and sesquiterpenoidsMonohalovinylated pyrethoids with insecticidal activityVitamin D analogs with anticancer activityReactant for: Asymmetric substitution affecting optical properties of boradiazaindacene dyesCarbanionic rearrangements of halomethylenecyclobutanesUsed for diferrocenyl molecular wires