CAS 2315-81-3|2-Chloro-4-cyanophenol|3-chloro-4-hydroxybenzonitrile|3-Chloro-4-hydroxybenzonitrile|3-chloro-4-hydroxybenzonitrile|3-氯-4-羟基苯甲腈|3-Chloro-4-hydroxybenzonitrile

Molecular Formula

C₇H₄ClNO

Molecular Mass

153.56576

Exact Mass

152.99814143

InChI

InChI=1S/C7H4ClNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H

InChIKey

CRYPJUOSZDQWJZ-UHFFFAOYSA-N

Canonic Smiles

N#Cc1ccc(c(c1)Cl)O

Isomeric Smiles

Clc1c(ccc(c1)C#N)O

JChem

Acid pKa

6.3021035

H Acceptors

H Donor

LogD (pH = 5.5)

2.0667262

LogD (pH = 7.4)

1.0373001

Log P

2.1298213

Molar Refractivity

38.5653

Polarizability

14.677859

Polar Surface Area

44.02

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2735739

Synonyms

2-Chloro-4-cyanophenol3-Chloro-4-hydroxybenzonitrile3-氯-4-羟基苯甲腈3-Chloro-4-hydroxybenzonitrile

IUPAC name

3-chloro-4-hydroxybenzonitrile

IUPAC Traditional name

3-chloro-4-hydroxybenzonitrile

MDL Number

MFCD01567246

CAS Number

2315-81-3

PubChem SID

162038612

Physical Property

Melting Point

150-153°C

148 - 150°C

147-149°C

Hydrophobicity(logP)

2.084

Safety Information

Storage Warning

Harmful/Irritant

GHS Precautionary statements

P280H-P305+P351+P338

GHS Pictograms

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

Risk Statements

22-36/37/38

European Hazard Symbols

Harmful (X)

GHS Hazard statements

H302-H315-H319-H335

Safety Statements

26-36/37

TSCA Listed

否

Product Information

Purity

95%

No Data Available

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Academic Data

PubChem

2735739

Synonyms

2-Chloro-4-cyanophenol3-Chloro-4-hydroxybenzonitrile3-氯-4-羟基苯甲腈3-Chloro-4-hydroxybenzonitrile

IUPAC name

3-chloro-4-hydroxybenzonitrile

IUPAC Traditional name

3-chloro-4-hydroxybenzonitrile

MDL Number

MFCD01567246

CAS Number

2315-81-3

PubChem SID

162038612

Physical Property

Melting Point

150-153°C

148 - 150°C

147-149°C

Hydrophobicity(logP)

2.084

Safety Information

Storage Warning

Harmful/Irritant

GHS Precautionary statements

P280H-P305+P351+P338

GHS Pictograms

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

Risk Statements

22-36/37/38

European Hazard Symbols

Harmful (X)

GHS Hazard statements

H302-H315-H319-H335

Safety Statements

26-36/37

TSCA Listed

否

Product Information

Purity

95%

No Data Available

Click here to submit data

Molecule

ID:73693