3-(1-Naphthyl)acrylic acid
Basic information
- CAS
13026-12-5- Standard SMILES
O=C(O)/C=C/c1cccc2ccccc12- InChIKey
WPXMLUUYWNHQOR-CMDGGOBGSA-N- Molecular formula
- C13H10O2
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.06807956
Names & identifiers
- Preferred name
- 3-(1-Naphthyl)acrylic acid
- IUPAC
- (E)-3-naphthalen-1-ylprop-2-enoic acid
- English name
- 3-(1-Naphthyl)acrylic acid
- Molecular formula
- C13H10O2
- Molecular weight
- 198.22
Names & synonyms
3-(1-Naphthyl)acrylic acid13026-12-5.beta.-(1-Naphthyl)acrylic acidEINECS 235-887-52-Propenoic acid, 3-(1-naphthalenyl)-NSC 99085RefChem:92065beta-(1-Naphthyl)acrylic acid235-887-5WPXMLUUYWNHQOR-CMDGGOBGSA-N(E)-3-(Naphthalen-1-yl)acrylic acid2006-14-6
Show more names
NSC99085SBB015717ARONIS0008863-(1-Naphthyl)acryliNaphthyl acrylic acid1-NAPHTHYLACRYLIC ACID3-(1-Naphthyl)acrylicaci3-(1-Naphtyl)acrylic acid
3-(Naphthalen-1-yl)acrylic acid3-(naphthalen-1-yl)prop-2-enoic acid(2E)-3-(naphthalen-1-yl)prop-2-enoic acid1-Naphthaleneacrylic acidnaphthylacrylicacid(E)-3-(Naphth-1-yl)acrylic acidZINC1446446(E)-3-naphthalen-1-ylprop-2-enoic acid
Database identifiers
- CAS
13026-12-5- PubChem CID
- 1521748
- EC Number
- 235-887-5
- Nikkaji
- J307.509E、J325.057A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 210 · 210-212°C
- Boiling point
- 393.1 · 393.1±11.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- pka
- 4.46 · 4.46±0.30(Predicted)
- color
- White to Light yellow
- Water Solubility
- Slightly soluble in water.
- BRN
- 1868617 · 1868617
- CAS DataBase Reference
- 13026 · 13026-12-5(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · 3-(1-Naphthyl)acrylic acid(13026-12-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (88.6%)
Safety data
- hs_code
- 2916.39.7900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-37
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3-(1-Naphthyl)acrylic acid is used as a pharmaceutical intermediate.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…