| Identification | More | [Name]
ETHYL PHENYLCYANOACETATE | [CAS]
4553-07-5 | [Synonyms]
ETHYL 2-CYANO-2-PHENYLACETATE
ETHYL PHENYLCYANOACETATE
PHENYLCYANOACETIC ACID ETHYL ESTER
RARECHEM AK ML 0109
Acetic acid, cyanophenyl-, ethyl ester
Ethyl alpha-cyano-alpha-phenylacetate
Ethyl alpha-cyanophenylacetate
Ethyl cyanophenylacetate
Ethyl ester of alpha-cyanobenzeneacetic acid
Phenylethylcyanoacetamide
Ethylphenylcyanoaceicacidester
Ethylphenylcyanoacetate,98%
Cyano(phenyl)acetic acid ethyl ester
α-Cyanobenzeneacetic acid ethyl ester | [EINECS(EC#)]
224-921-4 | [Molecular Formula]
C11H11NO2 | [MDL Number]
MFCD00001866 | [Molecular Weight]
189.21 | [MOL File]
4553-07-5.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to light yellow liquid | [Melting point ]
115-116 °C | [Boiling point ]
275 °C (lit.) | [density ]
1.09 g/mL at 25 °C(lit.) | [refractive index ]
1.5033-1.5053
| [Fp ]
>110°C | [storage temp. ]
Refrigerator | [solubility ]
Chloroform, DMSO, Methanol (Slightly) | [form ]
Liquid | [color ]
Clear colorless to light yellow | [BRN ]
611232 | [InChI]
1S/C11H11NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3 | [InChIKey]
SXIRJEDGTAKGKU-UHFFFAOYSA-N | [SMILES]
CCOC(=O)C(C#N)c1ccccc1 | [CAS DataBase Reference]
4553-07-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302+H312+H332-H315-H319-H335 | [Precautionary statements ]
P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21:Harmful by inhalation and in contact with skin .
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN3276 | [WGK Germany ]
3 | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269095 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to light yellow liquid | [Uses]
Ethyl phenylcyanoacetate?is a reagent used for the asymmetric synthesis of?(-)-manzacidin A.?It is also a useful reagent for C-C bond formation by conjugate additions with vinyl sulfones. | [Definition]
ChEBI: An alpha-substituted cyanoacetate ester that consists of ethyl cyanoacetate bearing an alpha-phenyl substituent. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 64, p. 576, 1942 DOI: 10.1021/ja01255a033
Organic Syntheses, Coll. Vol. 4, p. 461, 1963
Synthesis, p. 67, 1983 | [References]
[1] Patent: EP1688424, 2006, A1. Location in patent: Page/Page column 64
[2] Patent: EP1688424, 2006, A1. Location in patent: Page/Page column 87
[3] Patent: EP1688424, 2006, A1. Location in patent: Page/Page column 100
[4] Patent: EP1688424, 2006, A1. Location in patent: Page/Page column 100-101 |
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