Basic information
- Name:
Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester
- Superlist Name:
- Methyl (triphenylphosphoranylidene)acetate
- CAS No.:
2605-67-6
- Molecular Structure:
- Formula:
- C21H19O2P
- Molecular Weight:
- 334.35
- Synonyms:
- Aceticacid, (triphenylphosphoranylidene)-, methyl ester (6CI,7CI,8CI,9CI);(2-Methoxy-2-oxoethylidene)triphenylphosphorane;(Carbomethoxymethylene)triphenylphosphine;(Carbomethoxymethylene)triphenylphosphorane;(Triphenylphosphoranylidene)methyl acetate;(Triphenylphosphoranylidene)acetic acid methyl ester;2-(Triphenylphosphoranylidene)acetic acid methyl ester;Methyl(triphenylphosphoranylidene)acetate;Methyl2-(triphenylphosphoranylidene)acetate;Methyl triphenylphosphonoacetate;NSC 407395;Triphenyl(carbomethoxymethylene)phosphorane;[(Methoxycarbonyl)methylene]triphenylphosphorane;
- EINECS:
- 220-018-4
- Density:
- 1.177 g/cm3
- Melting Point:
- 168-172 °C(lit.)
- Boiling Point:
- 479.138 °C at 760 mmHg
- Flash Point:
- 256.768 °C
- Solubility:
- insoluble in water
- Appearance:
- white to off-white powder
- Hazard Symbols:
T, 
Xi- Risk Codes:
- 36/37/38-25
- Safety Description:
- 22-24/25-36-26 Details
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Chemistry
Product Name: Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester (CAS NO.2605-67-6)
Molecular Formula: C21H19O2P
Molecular Weight: 334.35g/mol
Mol File: 2605-67-6.mol
EINECS: 220-018-4
Melting Point: 168-172 °C(lit.)
Boiling point: 479.1 °C at 760 mmHg
Storage Temperature: Refrigerator (+4°C)
Flash Point: 256.8 °C
Density: 1.17 g/cm3
Water Solubility: insoluble
Sensitive: Air Sensitive
Surface Tension: 47.7 dyne/cm
Enthalpy of Vaporization: 74.34 kJ/mol
Vapour Pressure: 2.42E-09 mmHg at 25°C
XLogP3-AA: 4
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester (CAS NO.2605-67-6):
IUPAC Name: methyl 2-triphenylphosphoranylideneacetate
Canonical SMILES: COC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C21H19O2P/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/h2-17H,1H3
InChIKey: NTNUDYROPUKXNA-UHFFFAOYSA-N
Product Categories: Wittig Reagents; Synthetic Organic Chemistry; Wittig & Horner-Emmons Reaction; Wittig Reaction
Safety Profile
Safety Information of Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester (CAS NO.2605-67-6):
Hazard Codes: T
,Xi
Risk Statements: 36/37/38-25
25: Toxic if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 22-24/25-36-26
22: Do not breathe dust
24: Avoid contact with skin
25: Avoid contact with eyes
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
WGK Germany: 3
Hazard Note: Irritant
Specification
Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester , its CAS NO. is 2605-67-6, the synonyms are ((Methoxycarbonyl)methylene)triphenylphosphorane ; (Carbomethoxymethylene)triphenylphosphorane ; (Triphenylphosphoranylidene)acetic acid methyl ester ; Methyl triphenylphosphoranylideneacetate ; NSC 117573 ; Triphenyl(carbomethoxymethylene)phosphorane .
