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143626

Sigma-Aldrich

m-Tolyl isocyanate

99%

Synonym(s):

3-Methylphenyl isocyanate

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About This Item

Linear Formula:
CH3C6H4NCO
CAS Number:
621-29-4
Molecular Weight:
133.15
Beilstein:
386149
EC Number:
210-676-0
MDL number:
MFCD00002021
UNSPSC Code:
12352100
PubChem Substance ID:
24848598
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.5305 (lit.)

bp

75-76 °C/12 mmHg (lit.)

density

1.033 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Cc1cccc(c1)N=C=O

InChI

1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3

InChI key

CPPGZWWUPFWALU-UHFFFAOYSA-N

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General description

m-Tolyl isocyanate undergoes polymerization reaction to form the corresponding polymers by using lanthanum isopropoxide as initiator.

Application

m-Tolyl isocyanate was used as reagent during the synthesis of C5-cyclohexyl analog of the cholecystokinin type-B receptor antagonist L-365,260.

Signal Word

Danger

Hazard Statements

H314,H317,H330,H334,H335

Hazard Classifications

Acute Tox. 1 Inhalation - Eye Dam. 1 - Resp. Sens. 1 - Skin Corr. 1C - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 2

Flash Point(F)

149.0 °F - closed cup

Flash Point(C)

65 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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L-708,474: The C5-cyclohexyl analogue of L-365,260, a selective high affinity ligand for the CCKB/gastrin receptor.
Chambers MS, et al.
Bioorganic & Medicinal Chemistry Letters, 3(10), 1919-1924 (1993)
Lanthanoid isopropoxide as a novel initiator for anionic polymerization of isocyanates.
Fukuwatari N, et al.
Macromolecular Rapid Communications, 17(1), 1-7 (1996)

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