CAS 6358-08-3|2-amino-4-chloro-6-nitrophenol|2-amino-4-chloro-6-nitrophenol|2-Amino-4-chloro-6-nitrophenol|2-Amino-4-chloro-6-nitro-phenol|6-Amino-4-chloro-2-nitrophenol|2-氨基-4-氯-6-硝基苯酚|2-Ami...

Molecular Formula

C₆H₅ClN₂O₃

Molecular Mass

188.5685

Exact Mass

187.99886971

InChI

InChI=1S/C6H5ClN2O3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H,8H2

InChIKey

MHAFRUMLQZZSIN-UHFFFAOYSA-N

Canonic Smiles

Clc1cc(N)c(c(c1)[N+](=O)[O-])O

Isomeric Smiles

Oc1c(cc(cc1[N+](=O)[O-])Cl)N

JChem

Acid pKa

7.059937

H Acceptors

H Donor

LogD (pH = 5.5)

1.3730369

LogD (pH = 7.4)

0.88877296

Log P

1.3847834

Molar Refractivity

43.8646

Polarizability

15.998928

Polar Surface Area

89.39

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

4348294

IUPAC name

2-amino-4-chloro-6-nitrophenol

IUPAC Traditional name

2-amino-4-chloro-6-nitrophenol

Synonyms

2-Amino-4-chloro-6-nitrophenol2-Amino-4-chloro-6-nitro-phenol6-Amino-4-chloro-2-nitrophenol2-氨基-4-氯-6-硝基苯酚2-Amino-4-chloro-6-nitrophenol

CAS Number

6358-08-3

MDL Number

MFCD00035925

PubChem SID

16207871524877744

Physical Property

Safety Information

GHS Signal Word

Warning

Risk Statements

36/37/38

German water hazard class

GHS Precautionary statements

P261-P305+P351+P338

H315-H319-H335

Download link

26-36

Irritant (Xi)

dust mask type N95 (US), Eyeshields, Gloves

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

Product Information

No Data Available

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No Data Available

Click here to submit data

Sigma Aldrich

530387

Packaging
5, 25 g in glass bottle

TRC

A603475

Intermediate in the preparation of antipsychotics

From Data Sources

• Harikrishnan, L., et al.: Bioorg. Med. Chem. Lett., 18, 2640 (2005)

• Smid, P., et al.: J. Med. Chem., 48, 6855 (2005)

Academic Data

PubChem

4348294

IUPAC name

2-amino-4-chloro-6-nitrophenol

IUPAC Traditional name

2-amino-4-chloro-6-nitrophenol

Synonyms

2-Amino-4-chloro-6-nitrophenol2-Amino-4-chloro-6-nitro-phenol6-Amino-4-chloro-2-nitrophenol2-氨基-4-氯-6-硝基苯酚2-Amino-4-chloro-6-nitrophenol

CAS Number

MDL Number

PubChem SID

530387

Packaging
5, 25 g in glass bottle

TRC

A603475

Intermediate in the preparation of antipsychotics

From Data Sources

• Harikrishnan, L., et al.: Bioorg. Med. Chem. Lett., 18, 2640 (2005)

• Smid, P., et al.: J. Med. Chem., 48, 6855 (2005)

Physical Property

Safety Information

GHS Signal Word

Warning

Risk Statements

36/37/38

German water hazard class

GHS Precautionary statements

P261-P305+P351+P338

H315-H319-H335

Download link

26-36

Irritant (Xi)

dust mask type N95 (US), Eyeshields, Gloves

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

Product Information

Molecule

ID:92017