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2-Methyl-2-butenenitrile Tech. Grade

CAT: 0286-M13182-01Size: 25 mLDry Ice: NoHazardous: Yes
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CAT#:0286-M13182-01Size:25 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4403-61-6
Synonyms
1-Methyl-1-propenyl cyanide; 2-Cyano-2-butene; 2,3-Dimethylacrylonitrile
UN Code
UN3273
Pictogram
02 - Flammable; 06 - Acute Toxicity
UDF Signal Word
Danger
MDL Number
MFCD00037169
Hazard Statement
H225 Highly flammable liquid and vapor; H301 Toxic if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Nitriles, Flammable, Toxic, N.O.S.
DOT Classification
Class 3, 6.1
Packaging Group
PGII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P240 Ground/bond container and receiving equipment; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

2-Methyl-2-butenenitrile

2-methyl-2-butenenitrile is a clear amber liquid. (NTP, 1992)

CAS Number4403-61-6
PubChem CID29935
IUPAC Name2-methylbut-2-enenitrile
Molecular FormulaC5H7N
Molecular Weight81.12
XLogP1.2
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity102
SMILES
CC=C(C)C#N
InChI
InChI=1S/C5H7N/c1-3-5(2)4-6/h3H,1-2H3
InChIKey
IHXNSHZBFXGOJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-2-butenenitrile
CAS: 4403-61-6
CID: 29935
Formula: C5H7N
MW: 81.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight81.12
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass81.057849228
Monoisotopic Mass81.057849228
Topological Polar Surface Area23.8 Ų
Heavy Atom Count6
Formal Charge0
Complexity102
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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