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3-Ethynylaniline 98%

CAT: 0286-E16460-02Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-E16460-02Size:25 g
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CAS Number
54060-30-9
Synonyms
M-Aminophenyl acetylene
UN Code
UN1993
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00014779
Hazard Statement
H226 Flammable liquid and vapor; H302 Harmful 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
Flammable Liquids, N.O.S.
DOT Classification
Class 3
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; 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

Benzenamine, 3-ethynyl-
CAS Number54060-30-9
PubChem CID104682
IUPAC Name3-ethynylaniline
Molecular FormulaC8H7N
Molecular Weight117.15
XLogP1.3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity131
SMILES
C#CC1=CC(=CC=C1)N
InChI
InChI=1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2
InChIKey
NNKQLUVBPJEUOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenamine, 3-ethynyl-
CAS: 54060-30-9
CID: 104682
Formula: C8H7N
MW: 117.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight117.15
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass117.057849228
Monoisotopic Mass117.057849228
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity131
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
PDK02623-Ethynylaniline
GTR19250864-013-Ethynylaniline hydrochloride
sc-4967713-Ethynylaniline-d4
sc-3357763-Ethynylaniline HCl
9050073‐ETHYNYLANILINE (3‐AMINOPHENYLACETYLENE)
OR84074-013-Chloro-4-ethynylaniline
AR-E01718-01Erlotinib Impurity (3-Ethynylaniline)
OR1001404-014-Chloro-3-ethynylaniline
191098493-Ethynylaniline (3-Aminophenyl acetylene)
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