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Merck
CN

559733

Sigma-Aldrich

4-Fluoro-3-methylphenyl isocyanate

98%

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About This Item

Linear Formula:
FC6H3(CH3)NCO
CAS Number:
351003-65-1
Molecular Weight:
151.14
MDL number:
MFCD03427210
UNSPSC Code:
12352100
PubChem Substance ID:
24879640
NACRES:
NA.22

Key Documents

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Assay

98%

refractive index

n20/D 1.5120 (lit.)

bp

186 °C (lit.)

density

1.172 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Cc1cc(ccc1F)N=C=O

InChI

1S/C8H6FNO/c1-6-4-7(10-5-11)2-3-8(6)9/h2-4H,1H3

InChI key

QLOBMZKAOAACPA-UHFFFAOYSA-N

General description

4-Fluoro-3-methylphenyl isocyanate participates as a reactant in the synthesis of guanidinylated 2,5-dideoxystreptamine derivative.

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

134.6 °F - closed cup

Flash Point(C)

57 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCS9737
MKBX5976V
00603TD
05016PO

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Guanidinylated 2, 5-dideoxystreptamine derivatives as anthrax lethal factor inhibitors.
Jiao GS, et al.
Bioorganic & Medicinal Chemistry Letters, 16(6), 1527-1531 (2006)

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