5-Chloro-2-nitrobenzaldehyde - CAS 6628-86-0

Name: 5-Chloro-2-nitrobenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032975
Product Name:	5-Chloro-2-nitrobenzaldehyde
CAS:	6628-86-0
Synonyms:	5-chloro-2-nitrobenzaldehyde

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-chloro-2-nitrobenzaldehyde
Description:	5-Chloro-2-nitrobenzaldehyde (CAS# 6628-86-0) is a useful research chemical.
Molecular Weight:	185.56
Molecular Formula:	C7H4ClNO3
Canonical SMILES:	C1=CC(=C(C=C1Cl)C=O)[N+](=O)[O-]
InChI:	InChI=1S/C7H4ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H
InChI Key:	SWGPIDCNYAYXMJ-UHFFFAOYSA-N
Boiling Point:	310.2 °C at 760 mmHg
Melting Point:	75-77 °C
Purity:	98 %
Density:	1.485 g/cm³
Appearance:	Yellow powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00007289
LogP:	2.58390

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]; 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, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P313, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112939929-A	Synthetic method of 5-nitrothiophene-2-formaldehyde	20210320
CN-111995587-A	1, 4-disubstituted 3, 4-dihydro-2 (3H) -quinazolinone compound and synthetic method and application thereof	20200720
US-11040939-B1	N-transfer reagent and method for preparing the same and its application	20200623
DE-102019210983-A1	Increasing the stability of agents for treating keratin material	20190724
WO-2021013420-A1	Increasing the stability of agents for treating keratin material	20190724

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.9879707
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.9879707
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9