CAS 1443-76-1|4-hydroxy-3,5-dimethoxybenzohydrazide|4-hydroxy-3,5-dimethoxybenzohydrazide|3,5-Dimethoxy-4-hydroxybenzhydrazide|3,5-二甲氧基-4-羟基苯酰肼|4-Hydroxy-3,5-dimethoxybenzhydrazide|3,5-Dime...

Molecular Formula

C₉H₁₂N₂O₄

Molecular Mass

212.20258

Exact Mass

212.07970687

InChI

InChI=1S/C9H12N2O4/c1-14-6-3-5(9(13)11-10)4-7(15-2)8(6)12/h3-4,12H,10H2,1-2H3,(H,11,13)

InChIKey

AKZAAANGIPRVDU-UHFFFAOYSA-N

Canonic Smiles

NNC(=O)c1cc(OC)c(c(c1)OC)O

Isomeric Smiles

c1(cc(c(c(c1)OC)O)OC)C(=O)NN

JChem

Acid pKa

8.328545

H Acceptors

H Donor

LogD (pH = 5.5)

-0.0930082

LogD (pH = 7.4)

-0.13949761

Log P

-0.091497436

Molar Refractivity

54.5278

Polarizability

20.317226

Polar Surface Area

93.81

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

74043

IUPAC Traditional name

4-hydroxy-3,5-dimethoxybenzohydrazide

IUPAC name

4-hydroxy-3,5-dimethoxybenzohydrazide

Synonyms

3,5-Dimethoxy-4-hydroxybenzhydrazide3,5-二甲氧基-4-羟基苯酰肼4-Hydroxy-3,5-dimethoxybenzhydrazide3,5-Dimethoxy-4-hydroxybenzhydrazide

PubChem SID

CAS Number

MDL Number

Beilstein Number

Physical Property

Melting Point

156-157°C

154-157°C

Safety Information

MSDS Link

Download link

TSCA Listed

false

否

36/37/38

Irritant (Xi)

26-37

H315-H319-H335

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

P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

97%

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Academic Data

PubChem

74043

IUPAC Traditional name

4-hydroxy-3,5-dimethoxybenzohydrazide

IUPAC name

4-hydroxy-3,5-dimethoxybenzohydrazide

Synonyms

3,5-Dimethoxy-4-hydroxybenzhydrazide3,5-二甲氧基-4-羟基苯酰肼4-Hydroxy-3,5-dimethoxybenzhydrazide3,5-Dimethoxy-4-hydroxybenzhydrazide

PubChem SID

CAS Number

MDL Number

Beilstein Number

No Data Available

Click here to submit data

Physical Property

Melting Point

156-157°C

154-157°C

Safety Information

MSDS Link

Download link

TSCA Listed

false

否

36/37/38

Irritant (Xi)

26-37

H315-H319-H335

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

P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

97%

Molecule

ID:8398