ChemicalBook--->CAS DataBase List--->1943-82-4

1943-82-4

1943-82-4 Structure

1943-82-4 Structure
IdentificationMore
[Name]

Phenethyl isocyanate
[CAS]

1943-82-4
[Synonyms]

(2-ISOCYANATOETHYL)BENZENE
2-PHENYLETHYL ISOCYANATE
B-PHENYLETHYL ISOCYANATE
ISOCYANIC ACID 2-PHENYLETHYL ESTER
ISOCYANIC ACID PHENETHYL ESTER
PHENETHYL ISOCYANATE
PHENYLETHYL ISOCYANATE
Phenylethyl isocyanate 98%
Phenethyl isocyanate ,98%
[EINECS(EC#)]

413-080-0
[Molecular Formula]

C9H9NO
[MDL Number]

MFCD00037044
[Molecular Weight]

147.17
[MOL File]

1943-82-4.mol
Chemical PropertiesBack Directory
[Appearance]

colorless to yellow liquid
[Boiling point ]

210 °C(lit.)
[density ]

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

n20/D 1.522(lit.)
[Fp ]

212 °F
[solubility ]

Chloroform, Ethyl Acetate (Slightly)
[form ]

Liquid
[color ]

Colorless to yellow
[Specific Gravity]

1.063
[Water Solubility ]

decomposes
[Detection Methods]

GC,NMR
[Stability:]

Moisture Sensitive
[InChI]

InChI=1S/C9H9NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
[InChIKey]

HACRKYQRZABURO-UHFFFAOYSA-N
[SMILES]

C1(CCN=C=O)=CC=CC=C1
[CAS DataBase Reference]

1943-82-4(CAS DataBase Reference)
[Storage Precautions]

Store under nitrogen;Moisture sensitive
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS05,GHS06,GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H302-H314-H317-H331-H334-H411
[Precautionary statements ]

P273-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

T,C,N
[Risk Statements ]

R22:Harmful if swallowed.
R23:Toxic by inhalation.
R35:Causes severe burns.
R42/43:May cause sensitization by inhalation and skin contact .
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R25:Toxic if swallowed.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S43:In case of fire, use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add-Never use water) .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 2206 6.1/PG 3
[WGK Germany ]

2
[Hazard Note ]

Toxic/Corrosive
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[PackingGroup ]

III
[HS Code ]

29291090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 2
Resp. Sens. 1
Skin Corr. 1A
Skin Sens. 1
Hazard InformationBack Directory
[Chemical Properties]

colorless to yellow liquid
[Uses]

Phenethyl Isocyanate functions as a mechanism-based inhibitor of both rat and human cytochrome P 450 enzymes. It is also a useful reagent in the synthesis of novel sulfonamides derivatives with antimicrobial activities.
[Definition]

ChEBI: An isocyanate having a 2-phenylethyl group attached to the nitrogen.
Spectrum DetailBack Directory
[Spectrum Detail]

Phenethyl isocyanate(1943-82-4)MS
Phenethyl isocyanate(1943-82-4)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Phenethyl isocyanate, 99%(1943-82-4)
[Sigma Aldrich]

1943-82-4(sigmaaldrich)
[TCI AMERICA]

Phenethyl Isocyanate,>98.0%(GC)(T)(1943-82-4)
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