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511803

Sigma-Aldrich

4-Bromobenzyl isocyanate

98%

Synonym(s):

1-Bromo-4-(isocyanatomethyl)benzene

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About This Item

Linear Formula:
BrC6H4CH2NCO
CAS Number:
302912-23-8
Molecular Weight:
212.04
MDL number:
MFCD01863681
UNSPSC Code:
12352100
PubChem Substance ID:
24873561
NACRES:
NA.22

Assay

98%

refractive index

n20/D 1.571 (lit.)

bp

266 °C (lit.)

density

1.514 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Brc1ccc(CN=C=O)cc1

InChI

1S/C8H6BrNO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2

InChI key

IXWMDGLNJQNMIO-UHFFFAOYSA-N

General description

4-Bromobenzyl isocyanate (Br-BIC) is an organic building block containing an isocyanate group. Its performance as a polymerizable electrolyte additive to prevent overcharge in lithium ion batteries has been analyzed using various techniques.

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Sens. 1

Storage Class Code

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

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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4-Bromobenzyl isocyanate versus benzyl isocyanate-New film-forming electrolyte additives and overcharge protection additives for lithium ion batteries.
Korepp C, et al.
Journal of Power Sources, 174(2), 637-642 (2007)

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