2-Chloro-3-fluorobenzaldehyde - CAS 96516-31-3

Catalog:	BB041982
Product Name:	2-Chloro-3-fluorobenzaldehyde
CAS:	96516-31-3
Synonyms:	2-chloro-3-fluorobenzaldehyde; 2-chloro-3-fluorobenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-3-fluorobenzaldehyde
Description:	2-Chloro-3-fluorobenzaldehyde (CAS# 96516-31-3) is a useful research chemical.
Molecular Weight:	158.56
Molecular Formula:	C7H4ClFO
Canonical SMILES:	C1=CC(=C(C(=C1)F)Cl)C=O
InChI:	InChI=1S/C7H4ClFO/c8-7-5(4-10)2-1-3-6(7)9/h1-4H
InChI Key:	PIZVRLVKXWEMGO-UHFFFAOYSA-N
Boiling Point:	210.995 °C at 760 mmHg
Density:	1.352 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD07782053
LogP:	2.29160

Publication Number	Title	Priority Date
CN-111393348-A	Nitrogen-substituted phenylpyrrole compound and application thereof in plant sterilization	20200424
CN-111499554-A	Phenyl pyrrole compound and application of bactericidal activity thereof	20200424
CN-112778299-A	Piperazine ureido derivative, preparation method and medical application thereof	20191104
WO-2021045879-A1	Synthesis of deuterated aldehydes	20190903
CN-112341440-A	Immunomodulator	20190809

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.9934706
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	157.9934706
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1