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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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

143626-100G:
143626-VAR:
143626-25G:
143626-BULK:

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)
Lili Zhang et al.
Journal of chromatography. A, 1623, 461174-461174 (2020-06-09)
A new class of chitosan derivatives with an isopropylthiourea at the 2-position and various carbamates at the 3,6-positions of the glucosamine skeleton was synthesized by the selective thiocarbamoylation of the 2-amino group. The chiral stationary phases (CSPs) were then prepared

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