Basic information
- CAS
21926-55-6- Standard SMILES
C#CCOc1ccc(C(=O)O)cc1- InChIKey
HRFYYZJGIFWLQF-UHFFFAOYSA-N- Molecular formula
- C10H8O3
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.04734412
Names & identifiers
- Preferred name
- 4-(Prop-2-yn-1-yloxy)benzoic acid
- IUPAC
- 4-prop-2-ynoxybenzoic acid
- English name
- Benzoic acid, 4-(2-propynyloxy)-
- Molecular formula
- C10H8O3
- Molecular weight
- 176.17
Names & synonyms
4-(prop-2-yn-1-yloxy)benzoic acid21926-55-6DTXSID90389013RefChem:289363DTXCID70339874849-691-84-prop-2-ynoxybenzoic acidBenzoic acid, 4-(2-propynyloxy)-4-(2-propyn-1-yloxy)Benzoic acid4-(2-Propynyloxy)benzoic acidMFCD004607444-Propargyloxy-benzoic acid
Show more names
1-propargyloxybenzene-4-carboxylic acidBenzoic acid, 4-(2-propyn-1-yloxy)-4-propargyloxy benzoic acidSCHEMBL4398919HRFYYZJGIFWLQF-UHFFFAOYSA-N4-(prop-2-ynyloxy)-benzoic acid4-(prop-2-yn-1-yloxy)benzoicacidWAA92655
Database identifiers
- CAS
21926-55-6- PubChem CID
- 3089200
- DTXSID
DTXSID90389013- EC Number
- 849-691-8
- Nikkaji
- J995.453H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 212 · 212-214 °C(Solv: methanol (67-56-1))
- Boiling point
- 330.2 · 330.2±22.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 4.34 · 4.34±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H315-H319-H335-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers16 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
Related reactions
6 records
Compound notes
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