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478997

Sigma-Aldrich

Methyl 3-isocyanatobenzoate

97%

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About This Item

Linear Formula:
OCNC6H4CO2CH3
CAS Number:
41221-47-0
Molecular Weight:
177.16
MDL number:
MFCD00037077
UNSPSC Code:
12352100
PubChem Substance ID:
24871589

Assay

97%

mp

35-38 °C (lit.)

storage temp.

2-8°C

SMILES string

COC(=O)c1cccc(c1)N=C=O

InChI

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

InChI key

WBGWGERFPSYHDT-UHFFFAOYSA-N

General description

Methyl 3-isocyanatobenzoate, also known as 3-(methoxycarbonyl)phenyl isocyanate, is an aryl isocyanate.

Pictograms

Health hazard
GHS08

Signal Word

Danger

Hazard Statements

H317,H334

Hazard Classifications

Resp. Sens. 1 - Skin Sens. 1

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
38796CK
08524BD
17802PU
12616BI
09122MS

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