CAS 821-10-3|1,4-Dichlorobut-2-yne 98+%|2-butyne, 1,4-dichloro-|1,4-dichlorobut-2-yne|1,4-二氯-2-丁炔|1,4-Dichloro-2-butyne|1,4-Dichlorobut-2-yne

Molecular Formula

C₄H₄Cl₂

Molecular Mass

122.98056

Exact Mass

121.96900549

InChI

InChI=1S/C4H4Cl2/c5-3-1-2-4-6/h3-4H2

InChIKey

RCHDLEVSZBOHOS-UHFFFAOYSA-N

Canonic Smiles

ClCC#CCCl

Isomeric Smiles

ClCC#CCCl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.9743487

LogD (pH = 7.4)

1.9743487

Log P

1.9743487

Molar Refractivity

29.219

Polarizability

10.7287855

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

13182

IUPAC Traditional name

2-butyne, 1,4-dichloro-

Synonyms

1,4-Dichlorobut-2-yne 98+%1,4-二氯-2-丁炔1,4-Dichloro-2-butyne1,4-Dichlorobut-2-yne

IUPAC name

1,4-dichlorobut-2-yne

MDL Number

MFCD00000981

Beilstein Number

635740

Physical Property

Safety Information

Toxic/Irritant/Lachrymatory/Light Sensitive

36/37/38

Warning

ER9600000

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

Product Information

No Data Available

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No Data Available

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Sigma Aldrich

D59607

Packaging
5, 25, 100 g in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

13182

IUPAC Traditional name

2-butyne, 1,4-dichloro-

Synonyms

1,4-Dichlorobut-2-yne 98+%1,4-二氯-2-丁炔1,4-Dichloro-2-butyne1,4-Dichlorobut-2-yne

IUPAC name

1,4-dichlorobut-2-yne

MDL Number

MFCD00000981

Beilstein Number

635740

Sigma Aldrich

D59607

Packaging
5, 25, 100 g in glass bottle

No Data Available

Click here to submit data

Physical Property

Safety Information

Toxic/Irritant/Lachrymatory/Light Sensitive

36/37/38

Warning

ER9600000

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

Product Information

European Hazard Symbols

Irritant (Xi)

GHS Precautionary statements

P261-P305+P351+P338

Safety Statements

26-36

MSDS Link

Download link

German water hazard class

GHS Hazard statements

H315-H319-H335

Personal Protective Equipment

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

Storage Temperature

2-8°C

Molecule

ID:89896