CAS 76188-95-9|(2R)-5-chloropentan-2-ol|(R)-5-氯-2-戊醇|(R)-5-Chloro-2-pentanol|(2R)-5-chloropentan-2-ol

Molecular Formula

C₅H₁₁ClO

Molecular Mass

122.59324

Exact Mass

122.04984265

InChI

InChI=1S/C5H11ClO/c1-5(7)3-2-4-6/h5,7H,2-4H2,1H3/t5-/m1/s1

InChIKey

FLSMMDCDBMBKCE-RXMQYKEDSA-N

Canonic Smiles

ClCCC[C@H](O)C

Isomeric Smiles

C[C@H](CCCCl)O

JChem

Acid pKa

15.662319

H Acceptors

H Donor

LogD (pH = 5.5)

1.1398102

LogD (pH = 7.4)

1.1398102

Log P

1.1398102

Molar Refractivity

31.5334

Polarizability

12.401279

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

IUPAC name

(2R)-5-chloropentan-2-ol

Synonyms

(R)-5-氯-2-戊醇(R)-5-Chloro-2-pentanol

IUPAC Traditional name

(2R)-5-chloropentan-2-ol

PubChem SID

MDL Number

Beilstein Number

CAS Number

PubChem CID

Product Information

Empirical Formula (Hill Notation)

C5H11ClO

Grade

technical

Purity

≥95% (sum of enantiomers, GC)

UN Number

1987

GHS Hazard statements

H226

Risk Statements

Packing Group

Safety Statements

23-24/25

Hazard Class

German water hazard class

MSDS Link

Download link

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Storage Temperature

2-8°C

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

GHS Signal Word

Warning

RID/ADR

UN 1987 3/PG 3

Physical Property

Density

1.094 g/mL at 20 °C(lit.)

Flash Point

35 °C

95 °F

Optical Rotation

[α]20/D -14±2°, c = 0.2% in chloroform stab. with amylenes

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Commercial Catalog

Academic Data

IUPAC name

(2R)-5-chloropentan-2-ol

Synonyms

(R)-5-氯-2-戊醇(R)-5-Chloro-2-pentanol

IUPAC Traditional name

(2R)-5-chloropentan-2-ol

PubChem SID

MDL Number

Beilstein Number

CAS Number

PubChem CID

Product Information

Empirical Formula (Hill Notation)

C5H11ClO

Grade

technical

Purity

≥95% (sum of enantiomers, GC)

Safety Information

Physical Property

Density

1.094 g/mL at 20 °C(lit.)

Flash Point

35 °C

95 °F

Optical Rotation

[α]20/D -14±2°, c = 0.2% in chloroform stab. with amylenes

No Data Available

Click here to submit data

Molecule

ID:134426