ChemicalBook--->CAS DataBase List--->23138-53-6

23138-53-6

23138-53-6 Structure

23138-53-6 Structure
IdentificationBack Directory
[Name]

METHYL 4-ISOCYANATOBENZOATE 98
[CAS]

23138-53-6
[Synonyms]

METHYL 4-ISOCYANATOBEN
Methyl 4-isocyanatobenzoate
Methyl 4-isocyanatobenzoate 98%
METHYL 4-ISOCYANATOBENZOATE 98
4-Methoxycarbonyphenyl isocyanate
4-isocyanatobenzoic acid methyl ester
Benzoic acid, 4-isocyanato-, Methyl ester
methyl 4-isocyanatobenzoate(SALTDATA: FREE)
[Molecular Formula]

C9H7NO3
[MDL Number]

MFCD01863690
[MOL File]

23138-53-6.mol
[Molecular Weight]

177.16
Chemical PropertiesBack Directory
[Melting point ]

50-52 °C (lit.)
[Boiling point ]

122-124 °C(Press: 11 Torr)
[density ]

1.15±0.1 g/cm3(Predicted)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[InChI]

1S/C9H7NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h2-5H,1H3
[InChIKey]

FQDDBYGPHUUTRN-UHFFFAOYSA-N
[SMILES]

COC(=O)c1ccc(cc1)N=C=O
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

22-26-36
[RIDADR ]

UN 3335
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2929100090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

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

Methyl 4-isocyanatobenzoate may be used in the preparation of benzimidazole-1-carboxamide-[N-(4-methylbenzoate)] 2-methylcarbamate. This compound shows significant antitumor potency against the prostate cancer cells.
[General Description]

Methyl 4-isocyanatobenzoate is an organic building block containing an isocyanate group.
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