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512087

Sigma-Aldrich

4-Bromo-3-methylphenyl isocyanate

98%

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About This Item

Linear Formula:
BrC6H3(CH3)NCO
CAS Number:
1591-97-5
Molecular Weight:
212.04
MDL number:
MFCD01863700
UNSPSC Code:
12352100
PubChem Substance ID:
24873608

assay

98%

refractive index

n20/D 1.584 (lit.)

bp

245 °C (lit.)

density

1.507 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Cc1cc(ccc1Br)N=C=O

InChI

1S/C8H6BrNO/c1-6-4-7(10-5-11)2-3-8(6)9/h2-4H,1H3

InChI key

AYFMPMKATOGAGY-UHFFFAOYSA-N

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

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

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
08829KD
15718HC
08018CU

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Utsab Manna et al.
Dalton transactions (Cambridge, England : 2003), 46(31), 10374-10386 (2017-07-27)
A meta-phenylenediamine-based disubstituted bis-urea receptor L1 with electron-withdrawing 3-chloro and electron-donating 4-methylphenyl terminals has been established as a potential system to fix and efficiently capture atmospheric CO

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