2-Chloro-4,5-difluorobenzonitrile - CAS 135748-34-4

Name: 2-Chloro-4,5-difluorobenzonitrile
Brand: BOC Sciences
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Catalog:	BB008243
Product Name:	2-Chloro-4,5-difluorobenzonitrile
CAS:	135748-34-4
Synonyms:	2-chloro-4,5-difluorobenzonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-4,5-difluorobenzonitrile
Description:	2-Chloro-4,5-difluorobenzonitrile (CAS# 135748-34-4) is a useful research chemical.
Molecular Weight:	173.55
Molecular Formula:	C7H2ClF2N
Canonical SMILES:	C1=C(C(=CC(=C1F)F)Cl)C#N
InChI:	InChI=1S/C7H2ClF2N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H
InChI Key:	AKZDICFDUJUQRX-UHFFFAOYSA-N
Boiling Point:	231.5 °C at 760 mmHg
Purity:	95 %
Density:	1.43 g/cm³
Appearance:	White powder
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD02871619
LogP:	2.48988

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Related Functional Groups

Fluorinated Building Blocks

[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
[2091593-59-6]C9H10F3NO
3-methoxy-6-methyl-2-(trifluoromethyl)aniline
[5310-68-9]C6H4ClF5S
4-Chlorophenylsulphur pentafluoride
[1328640-88-5]C7H9F2N3O3
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole

Nitrogen Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[45867-11-6]C5H4ClN3O2
2-Amino-5-chloro-4-pyrimidinecarboxylic acid
[832740-03-1]C14H18F3N3O2
Ethyl 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate
[1006353-04-3]C14H18N4O2S
Ethyl 2-((4-(1,3,5-trimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl)thio)acetate

GHS Hazard Statement:	H302+H312+H332 (90.48%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (90.48%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
DE-102017114372-B3	ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES	20170628
US-2019006600-A1	Organic molecules, in particular for use in optoelectronic devices	20170628
DE-102017102363-A1	Organic molecules, in particular for use in organic optoelectronic devices	20170207
DE-102017102363-B4	Organic molecules, in particular for use in organic optoelectronic devices	20170207
CA-3025866-A1	Alpha-d-galactoside inhibitors of galectins	20160712

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.9843831
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.9843831
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5