(Carbomethoxymethyl)triphenylphosphonium bromide supplier

Name
(Carbomethoxymethyl)triphenylphosphonium bromide
EINECS 217-222-0
CAS No. 1779-58-4
Article Data42
CAS DataBase
Density
Solubility
Melting Point 165-170 °C (dec.)(lit.)
Formula C₂₁H₂₀BrO₂P
Boiling Point
Molecular Weight 415.266
Flash Point
Transport Information
Appearance white powder
Safety 26-36-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (Carboxymethyl)triphenylphosphoniumbromide, methyl ester (6CI,7CI);Phosphonium, (2-methoxy-2-oxoethyl)triphenyl-,bromide (9CI);Phosphonium, (carboxymethyl)triphenyl-, bromide, methyl ester(8CI);(2-Methoxy-2-oxoethyl)triphenylphosphonium bromide;Carbomethoxymethyltriphenylphosphonium bromide;NSC 136109;[(Methoxycarbonyl)methyl]triphenylphosphonium bromide;
PSA 39.89000
LogP 0.15750

(Carbomethoxymethyl)triphenylphosphonium bromide Specification

The (Carbomethoxymethyl)triphenylphosphonium bromide, with the CAS registry number 1779-58-4, has the systematic name of (2-methoxy-2-oxoethyl)(triphenyl)phosphonium bromide. It belongs to the following product categories: Phosphonium Compounds; Synthetic Organic Chemistry; Wittig & Horner-Emmons Reaction; Wittig Reaction. It is a kind of white power and the molecular formula of the chemical is C₂₁H₂₀BrO₂P.

The characteristics of this chemical are as followings: (1)H-Bond Donor 0; (2)H-Bond Acceptor 3; (3)Rotatable Bond Count 6; (4)Exact Mass 414.038429; (5)MonoIsotopic Mass 414.038429; (6)Topological Polar Surface Area 26.3; (7)Heavy Atom Count 25; (8)Formal Charge 0; (9)Complexity 345; (10)Isotope Atom Count 0; (11)Defined Atom StereoCenter Count 0; (12)Undefined Atom StereoCenter Count ; (13)Defined Bond StereoCenter Count 0; (14)Undefined Bond StereoCenter Count 0; (15)Covalently-Bonded Unit Count 2.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Br-].O=C(OC)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C21H20O2P.BrH/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1
(3)InChIKey: VCWBQLMDSMSVRL-REWHXWOFAW

Product Name

(Carbomethoxymethyl)triphenylphosphonium bromide

(Carbomethoxymethyl)triphenylphosphonium bromide Specification

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