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530174

Sigma-Aldrich

3-Chloro-2-fluoroaniline

97%

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About This Item

Linear Formula:
ClC6H3(F)NH2
CAS Number:
2106-04-9
Molecular Weight:
145.56
EC Number:
218-283-6
MDL number:
MFCD00069415
UNSPSC Code:
12352100
PubChem Substance ID:
24877734
NACRES:
NA.22

Quality Level

100

Assay

97%

refractive index

n20/D 1.564 (lit.)

bp

214 °C (lit.)

density

1.324 g/mL at 25 °C (lit.)

functional group

chloro
fluoro

SMILES string

Nc1cccc(Cl)c1F

InChI

1S/C6H5ClFN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2

InChI key

XWBTZHDDWRNOQH-UHFFFAOYSA-N

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General description

3-Chloro-2-fluoroaniline is a dihalo-substituted aniline. Its enthalpy of vaporization at boiling point (487.15K) is 42.561kjoule/mol.

Application

3-Chloro-2-fluoroaniline may be used in the preparation of 2-chloro-3-fluorobromobenzene and 4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate.

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H302,H315,H318,H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV5992
MKCQ7542
MKBT3775V
MKBP8891V
MKBB8244V

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Min Wang et al.
Bioorganic & medicinal chemistry letters, 24(18), 4455-4459 (2014-08-26)
The reference standard AZD8931{2-(4-((4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)piperidin-1-yl)-N-methylacetamide} (11a) was synthesized from methyl 4,5-dimethoxy-2-nitrobenzoate or ethyl 4,5-dimethoxy-2-nitrobenzoate and 2-chloro-N-methylacetamide in 11 steps with 2-5% overall chemical yield. The precursor N-desmethyl-AZD8931{2-(4-((4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)piperidin-1-yl)acetamide} (11b) was synthesized from methyl 4,5-dimethoxy-2-nitrobenzoate or ethyl 4,5-dimethoxy-2-nitrobenzoate and 2-bromoacetamide in 11 steps
Synthesis of 2-Chloro-3-fluorobromobenzene [J].
Zhao HY and Pan YQ
Chemical World, 11, 010-010 (2011)
Yaws CL.
Thermophysical Properties of Chemicals and Hydrocarbons, 522-522 (2014)

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