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Butyl cyanoacetate

Butyl cyanoacetate structure

CAS No:
5459-58-5
Formula:
C7H11NO2
Chemical Name:
Butyl cyanoacetate
Synonyms:
Acetic acid,2-cyano-,butyl ester;Acetic acid,cyano-,butyl ester;Butyl cyanoacetate;n-Butyl α-cyanoacetate;n-Butyl cyanoacetate;Cyanoacetic acid butyl ester;NSC 24260
Categories:
Chemical Reagents > Organic Reagents

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Description

Clear liquid

Liquid

Butyl cyanoacetate Basic Attributes

Molecular Weight：

141.17

Exact Mass：

141.17

EC Number：

226-730-1

UNII：

F9H6L20VOH

NSC Number：

24260

DSSTox ID：

DTXSID1044439

HScode：

29269090

Characteristics

PSA：

50.1

XLogP3：

1.3

Appearance：

APHA: ≤60

Density：

1.0010 g/cm³ @ Temp: 20 °C

Melting Point：

-80ºC

Boiling Point：

231 °C

Flash Point：

189 °F

Refractive Index：

1.425-1.427

Water Solubility：

H2O: IMMISCIBLE

Storage Conditions：

Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Packing level：

III

Transport codes：

UN 3276 6.1/PG 3

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-27-36/37/39

RTECS Number：

AG3692500

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H312

GHS Classification：

|Warning|H312 (97.44%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 54 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Butyl cyanoacetate Use and Manufacturing

Methods of Manufacturing

From sodium chloroacetate through cyanation and esterification.

Uses

Butyl cyanoacetate is used as intermediate for numerous organic syntheses, e.g. alpha-cyanoacrylic adhesives. Product Data Sheet

Adsorbents and absorbents

Production

25,000 - 100,000 lb

Manufacturing Info：

All other basic organic chemical manufacturing|Acetic acid, 2-cyano-, butyl ester: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:141.17
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:141.078978594
Monoisotopic Mass:141.078978594
Topological Polar Surface Area:50.1
Heavy Atom Count:10
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethyl cyanoacetate

1-Butanol

Downstream Products

1-Butanol

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