CAS 6628-86-0|5-chloro-2-nitrobenzaldehyde|5-chloro-2-nitrobenzaldehyde|5-Chloro-2-nitrobenzaldehyde|4-Chloro-2-formylnitrobenzene|5-Chloro-2-nitrobenzaldehyde|5-氯-2-硝基苯甲醛|2-Nitro-5-chlorobenz...

Molecular Formula

C₇H₄ClNO₃

Molecular Mass

185.56456

Exact Mass

184.98797067

InChI

InChI=1S/C7H4ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H

InChIKey

SWGPIDCNYAYXMJ-UHFFFAOYSA-N

Canonic Smiles

O=Cc1cc(Cl)ccc1[N+](=O)[O-]

Isomeric Smiles

C(=O)c1c(ccc(c1)Cl)[N+](=O)[O-]

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.229777

LogD (pH = 7.4)

2.229777

Log P

2.229777

Molar Refractivity

43.7673

Polarizability

16.104227

Polar Surface Area

60.21

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

81123

IUPAC name

5-chloro-2-nitrobenzaldehyde

IUPAC Traditional name

5-chloro-2-nitrobenzaldehyde

Synonyms

5-Chloro-2-nitrobenzaldehyde4-Chloro-2-formylnitrobenzene5-Chloro-2-nitrobenzaldehyde5-氯-2-硝基苯甲醛2-Nitro-5-chlorobenzaldehyde

CAS Number

6628-86-0

MDL Number

MFCD00007289

Beilstein Number

1910197

Storage Warning

IRRITANT

Irritant/Store under Argon

MSDS Link

Download link

TSCA Listed

false

GHS Pictograms

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Safety Statements

26-36/37-61

European Hazard Symbols

Irritant (Xi)

Nature polluting (N)

GHS Hazard statements

H315-H317-H318-H335-H400

German water hazard class

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

GHS Signal Word

Danger

Risk Statements

36/37/38-43-50/53

GHS Precautionary statements

P261-P273-P280-P305+P351+P338

Product Information

Physical Property

No Data Available

Click here to submit data

No Data Available

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MP Biomedicals

05201215

MP Biomedicals Rare Chemical collection

Sigma Aldrich

C58800

Packaging
5, 25 g in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

81123

IUPAC name

5-chloro-2-nitrobenzaldehyde

IUPAC Traditional name

5-chloro-2-nitrobenzaldehyde

Synonyms

5-Chloro-2-nitrobenzaldehyde4-Chloro-2-formylnitrobenzene5-Chloro-2-nitrobenzaldehyde5-氯-2-硝基苯甲醛2-Nitro-5-chlorobenzaldehyde

CAS Number

6628-86-0

MDL Number

MFCD00007289

Beilstein Number

1910197

Safety Information

Product Information

Physical Property

MP Biomedicals

05201215

MP Biomedicals Rare Chemical collection

Sigma Aldrich

C58800

Packaging
5, 25 g in glass bottle

No Data Available

Click here to submit data

Molecule

ID:68898