CAS 57090-45-6|(2R)-3-chloropropane-1,2-diol|(2R)-3-chloropropane-1,2-diol|(R)-3-Chloro-1,2-propanediol|(R)-(-)-3-Chloro-1,2-propanediol|(R)-α-Glycerol chlorohydrin|(R)-(-)-3-氯-1,2-丙二醇|(R)-α-甘...

Molecular Formula

C₃H₇ClO₂

Molecular Mass

110.53948

Exact Mass

110.01345714

InChI

InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m0/s1

InChIKey

SSZWWUDQMAHNAQ-VKHMYHEASA-N

Canonic Smiles

OC[C@H](CCl)O

Isomeric Smiles

C([C@H](CCl)O)O

JChem

Acid pKa

13.571293

H Acceptors

H Donor

LogD (pH = 5.5)

-0.48442218

LogD (pH = 7.4)

-0.48442245

Log P

-0.48442218

Molar Refractivity

23.5671

Polarizability

9.458508

Polar Surface Area

40.46

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

148793

IUPAC name

(2R)-3-chloropropane-1,2-diol

IUPAC Traditional name

(2R)-3-chloropropane-1,2-diol

Synonyms

(R)-3-Chloro-1,2-propanediol(R)-(-)-3-Chloro-1,2-propanediol(R)-α-Glycerol chlorohydrin(R)-(-)-3-氯-1,2-丙二醇(R)-α-甘油氯

CAS Number

MDL Number

Beilstein Number

MSDS Link

Storage Warning

IRRITANT

TSCA Listed

false

否

GHS Hazard statements

H301-H318

H301-H331-H312-H315-H335-H360-H341-H318

GHS Precautionary statements

P280-P301+P310-P305+P351+P338

P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

GHS Pictograms

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

Corrosive to metals, category 1

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

Serious eye damage, category 1

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

UN Number

2689

UN2689

Risk Statements

25-41

60-21-23/25-37/38-41-68

European Hazard Symbols

Toxic (T)

German water hazard class

Personal Protective Equipment

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

Hazard Class

6.1

Packing Group

III

GHS Signal Word

Danger

RID/ADR

UN 2689 6.1/PG 3

Safety Statements

26-28-39-45

53-4-9-20-23-26-36/37/39-45

Storage Temperature

2-8°C

RTECS

TY4025000

Product Information

Physical Property

No Data Available

Click here to submit data

No Data Available

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Sigma Aldrich

440981

Application
Used in the synthesis of (S)-(-)-pindolol and chuangxinmycin.1

540056

Packaging
5 g in glass bottle
Legal Information
Manufactured under license by Shasun Chemicals and Drugs Limited, using Jacobsen HKR technology.

26075

Other Notes
Starting material for the synthesis of (R)-epichlorohydrin1

No Data Available

Click here to submit data

Academic Data

PubChem

148793

IUPAC name

(2R)-3-chloropropane-1,2-diol

IUPAC Traditional name

(2R)-3-chloropropane-1,2-diol

Synonyms

(R)-3-Chloro-1,2-propanediol(R)-(-)-3-Chloro-1,2-propanediol(R)-α-Glycerol chlorohydrin(R)-(-)-3-氯-1,2-丙二醇(R)-α-甘油氯

CAS Number

MDL Number

Beilstein Number

440981

Application
Used in the synthesis of (S)-(-)-pindolol and chuangxinmycin.1

540056

Packaging
5 g in glass bottle
Legal Information
Manufactured under license by Shasun Chemicals and Drugs Limited, using Jacobsen HKR technology.

26075

Other Notes
Starting material for the synthesis of (R)-epichlorohydrin1

No Data Available

Click here to submit data

Safety Information

Product Information

Physical Property

Molecule

ID:70323