4-Ethynylbenzoic Acid
Catalog Number
ACM10602003
CAS
10602-00-3
IUPAC Name
4-ethynylbenzoic acid
Molecular Weight
146.14
Molecular Formula
C9H6O2
Product Information
Canonical SMILES
C#CC1=CC=C(C=C1)C(=O)O
Inchi
InChI=1S/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11)
InChIKey
SJXHLZCPDZPBPW-UHFFFAOYSA-N
Melting Point
192 °C
Purity
98%
Density
Air Sensitive
Appearance
Light yellow to Amber to Dark green powder to crystal
storage
Store under inert gas
Complexity
191
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
11
MDL Number
MFCD00168819
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
2325393
Rotatable Bond Count
2
Signal Word
Warning
Monoisotopic Mass
146.036779g/mol
Exact Mass
146.036779g/mol
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