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40203-94-9

40203-94-9 Structure

40203-94-9 Structure
IdentificationMore
[Name]

(S)-2-ISOCYANATO-3-PHENYLPROPIONIC ACID METHYL ESTER
[CAS]

40203-94-9
[Synonyms]

METHYL 2(S)-ISOCYANATO-3-PHENYLPROPANOATE
METHYL (S)-(-)-2-ISOCYANATO-3-PHENYLPROPIONATE
METHYL (S)-2-ISOCYANATO-3-PHENYLPROPIONATE
(S)-2-ISOCYANATO-3-PHENYLPROPIONIC ACID METHYL ESTER
(S)-2-Isocyanato-3-phenylpropionic Acid
(S)-2-ISOCYANATO-3-PHENYLPROPIONIC ACID METHYL ESTER 95+%
methyl-(s)-2-isocyanato-3-phenylpropanate
methyl N-(oxomethylene)phenylalaninate
[Molecular Formula]

C11H11NO3
[MDL Number]

MFCD00191535
[Molecular Weight]

205.21
[MOL File]

40203-94-9.mol
Chemical PropertiesBack Directory
[Melting point ]

23°C
[Boiling point ]

244 °C(lit.)
[density ]

1.13 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.513(lit.)
[Fp ]

>230 °F
[form ]

powder to lump
[color ]

White to Light yellow
[Optical Rotation]

[α]20/D 80.0°, neat
[FreezingPoint ]

22.0 to 25.0 ℃
[InChI]

1S/C11H11NO3/c1-15-11(14)10(12-8-13)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-/m0/s1
[InChIKey]

JOTMMIYKEOOTNZ-JTQLQIEISA-N
[SMILES]

COC(=O)[C@H](Cc1ccccc1)N=C=O
[CAS DataBase Reference]

40203-94-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2206 6.1/PG 3
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29291090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 3
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Hazard InformationBack Directory
[Uses]

This compound has been employed in the preparation of dipeptide analogs of angiotensinogen and Schiff base derivatives for the inhibition of thermolysin.
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-2-ISOCYANATO-3-PHENYLPROPIONIC ACID METHYL ESTER(40203-94-9)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

40203-94-9(sigmaaldrich)
[TCI AMERICA]

Methyl (S)-2-Isocyanato-3-phenylpropionate,>97.0%(GC)(40203-94-9)
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