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Isovaleronitrile

Isovaleronitrile structure

CAS No:
625-28-5
Formula:
C5H9N
Chemical Name:
Isovaleronitrile
Synonyms:
Butanenitrile,3-methyl-;Isovaleronitrile;3-Methylbutanenitrile;3-Methylbutyronitrile;Isopentane nitrile;1-Cyano-2-methylpropane;Isobutyl cyanide;NSC 148363;Isobutylnitrile
Categories:
Organic Chemistry > Coordination Complexes

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Isovaleronitrile Basic Attributes

Molecular Weight：

83.13170

Exact Mass：

83.13

EC Number：

210-884-1

UNII：

N2G72X091L

NSC Number：

148363

DSSTox ID：

DTXSID0021620

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

1.55608

Density：

0.8054 g/cm³ @ Temp: 0 °C

Melting Point：

-101 °C

Boiling Point：

127.5 °C

Flash Point：

83 °F

Refractive Index：

n20/D 1.393(lit.)

Storage Conditions：

Keep tightly closed.

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1992 3/PG 3

wgk germany：

hazard class code：

R10;R22;R36/37/38

safety instructions：

S26-S36

RTECS Number：

NY1750000

Marks：

Xn:Harmful;

Stability/Shelf Life：

Stable at normal temperatures and pressures.

Precautionary statement(s)：

P261-P301 + P310-P305 + P351 + P338

Hazard Statements：

H226-H301-H315-H319-H335

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

iso(VL)

Isovaleronitrile Use and Manufacturing

Manufacturing Info：

Butanenitrile, 3-methyl-: INACTIVE

Computed Properties

Molecular Weight:83.13
XLogP3:1.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:83.073499291
Monoisotopic Mass:83.073499291
Topological Polar Surface Area:23.8
Heavy Atom Count:6
Complexity:65.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 625-28-5

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CAS No.: 625-28-5

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