4-Ethynylaniline
Catalog Number
ACM14235815
CAS
14235-81-5
IUPAC Name
4-ethynylaniline
Synonyms
4-Aminophenylacetylene
Molecular Weight
17.149999999999999
Molecular Formula
C8H7N=
Product Information
Canonical SMILES
C#CC1=CC=C(C=C1)N
Inchi
InChI=1S/C8H7N/c1-2-7-3-5-8(9)6-4-7/h1,3-6H,9H2
InChIKey
JXYITCJMBRETQX-UHFFFAOYSA-N
Boiling Point
98-102 °C / 760 mmHg
Melting Point
104 °C
Purity
>98.0%(HPLC)
Appearance
Light yellow to Brown to Dark green powder to crystal
storage
Keep in dark place. Sealed in dry. Room temperature.
Complexity
123
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
9
MDL Number
MFCD00168824
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Reaxys Registry Number
2205181
Rotatable Bond Count
1
Signal Word
Warning
Monoisotopic Mass
117.057849g/mol
Exact Mass
117.057849g/mol
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