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4-CYANO-1-BUTYNE

4-CYANO-1-BUTYNE structure

CAS No:
19596-07-7
Formula:
C5H5N
Chemical Name:
4-CYANO-1-BUTYNE
Synonyms:
4-CYANO-1-BUTYNE;4-PENTYNENITRILE;4-CYANO-1-BUTYNE 98%;1-Cyano-3-butyne;4-Cyanobut-1-yne;4-Pentynenitrile 97%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-CYANO-1-BUTYNE Basic Attributes

Molecular Weight：

79.1

Exact Mass：

79.04220

DSSTox ID：

DTXSID90173257

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

0.92338

Density：

0,88 g/cm 3

Melting Point：

59-61℃

Boiling Point：

60°C10mm

Flash Point：

55.4℃

Refractive Index：

1.4369

Storage Conditions：

2-8°C

Safety Information

Transport codes：

3275

wgk germany：

hazard class code：

10-20/21/22-36/37/38-25

safety instructions：

16-26-36-45

Marks：

Precautionary statement(s)：

P301 + P310

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:79.10
XLogP3:0.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:79.042199164
Monoisotopic Mass:79.042199164
Topological Polar Surface Area:23.8
Heavy Atom Count:6
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Manufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acid

19596-07-7 pent-4-ynenitrile

CAS No.: 19596-07-7

Grade: Industrial Grade

Content: 95%

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