CAS 22536-63-6|2-chloro-4-methoxypyrimidine|2-Chloro-4-methoxypyrimidine|2-chloro-4-methoxypyrimidine|2-Chloro-4-methoxy-1,2-diazine|2-氯-4-甲氧基嘧啶|2-Chloro-4-methoxypyrimidine

Molecular Formula

C₅H₅ClN₂O

Molecular Mass

144.559

Exact Mass

144.00904047

InChI

InChI=1S/C5H5ClN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3

InChIKey

BDXYNMVQMBCTDB-UHFFFAOYSA-N

Canonic Smiles

COc1ccnc(n1)Cl

Isomeric Smiles

n1c(nc(cc1)OC)Cl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.3950691

LogD (pH = 7.4)

1.395072

Log P

1.3950721

Molar Refractivity

34.9976

Polarizability

13.136037

Polar Surface Area

35.01

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

588935

Synonyms

2-Chloro-4-methoxy-1,2-diazine2-Chloro-4-methoxypyrimidine2-氯-4-甲氧基嘧啶2-Chloro-4-methoxypyrimidine

IUPAC Traditional name

2-chloro-4-methoxypyrimidine

IUPAC name

2-chloro-4-methoxypyrimidine

MDL Number

MFCD00194055

CAS Number

22536-63-6

PubChem SID

24878161162075979

Safety Information

Storage Warning

Irritant

Risk Statements

36/37/38

German water hazard class

GHS Hazard statements

H315-H319-H335

P261-P305+P351+P338

26-36

Download link

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

dust mask type N95 (US), Eyeshields, Gloves

Warning

Irritant (Xi)

Physical Property

Product Information

C5H5ClN2O

98%

95%

95+%

No Data Available

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No Data Available

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Sigma Aldrich

536458

Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

588935

Synonyms

2-Chloro-4-methoxy-1,2-diazine2-Chloro-4-methoxypyrimidine2-氯-4-甲氧基嘧啶2-Chloro-4-methoxypyrimidine

IUPAC Traditional name

2-chloro-4-methoxypyrimidine

IUPAC name

2-chloro-4-methoxypyrimidine

MDL Number

CAS Number

PubChem SID

536458

Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Safety Information

Storage Warning

Irritant

Risk Statements

36/37/38

German water hazard class

GHS Hazard statements

H315-H319-H335

P261-P305+P351+P338

26-36

Download link

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

dust mask type N95 (US), Eyeshields, Gloves

Warning

Irritant (Xi)

Physical Property

Product Information

C5H5ClN2O

98%

95%

95+%

Molecule

ID:89093