CAS 1805-32-9|(3,4-Dichlorophenyl)methanol|3,4-Dichlorobenzyl alcohol 97%|3,4-dichlorobenzyl alcohol|(3,4-dichlorophenyl)methanol|3,4-Dichlorobenzyl alcohol|3,4-二氯苯甲醇|3,4-Dichlorobenzyl alcohol...

Molecular Formula

C₇H₆Cl₂O

Molecular Mass

177.02794

Exact Mass

175.97957017

InChI

InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2

InChIKey

FVJIUQSKXOYFKG-UHFFFAOYSA-N

Canonic Smiles

OCc1ccc(c(c1)Cl)Cl

Isomeric Smiles

C(c1cc(c(cc1)Cl)Cl)O

JChem

Acid pKa

14.864543

H Acceptors

H Donor

LogD (pH = 5.5)

2.4139855

LogD (pH = 7.4)

2.4139855

Log P

2.4139855

Molar Refractivity

42.4835

Polarizability

16.594677

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

15728

IUPAC Traditional name

3,4-dichlorobenzyl alcohol

IUPAC name

(3,4-dichlorophenyl)methanol

Synonyms

(3,4-Dichlorophenyl)methanol3,4-Dichlorobenzyl alcohol 97%3,4-Dichlorobenzyl alcohol3,4-二氯苯甲醇3,4-Dichlorobenzyl alcohol3,4-二氯苄醇3,4-DichlorobenzylAlcohol

PubChem SID

CAS Number

MDL Number

Beilstein Number

MSDS Link

Storage Warning

IRRITANT

Toxic/Harmful

TSCA Listed

false

否

GHS Hazard statements

H302-H315-H318-H335

H311-H302-H315-H319-H335

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

GHS Precautionary statements

P261-P280-P305+P351+P338

P280H-P305+P351+P338-P309-P310

Hazard Class

6.1

European Hazard Symbols

Nature polluting (N)

Harmful (Xn)

Harmful (X)

Safety Statements

26-36/37/39-61

26-36/37

Packing Group

III

German water hazard class

GHS Pictograms

Corrosive to metals, category 1

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

Serious eye damage, category 1

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

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

RID/ADR

UN 2811 6.1/PG 3

UN Number

2811

UN2811

GHS Signal Word

Danger

Risk Statements

22-37/38-41-51/53

21/22-36/37/38

Storage Temperature

2-8°C

Product Information

Physical Property

No Data Available

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Academic Data

PubChem

15728

IUPAC Traditional name

3,4-dichlorobenzyl alcohol

IUPAC name

(3,4-dichlorophenyl)methanol

Synonyms

(3,4-Dichlorophenyl)methanol3,4-Dichlorobenzyl alcohol 97%3,4-Dichlorobenzyl alcohol3,4-二氯苯甲醇3,4-Dichlorobenzyl alcohol3,4-二氯苄醇3,4-DichlorobenzylAlcohol

PubChem SID

CAS Number

MDL Number

Beilstein Number

Safety Information

Product Information

Physical Property

No Data Available

Click here to submit data

Molecule

ID:69837