Basic information
- CAS
6097-07-0- Standard SMILES
C#CCCCN1C(=O)c2ccccc2C1=O- InChIKey
YNZIPXLLPFYDGM-UHFFFAOYSA-N- Molecular formula
- C13H11NO2
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.07897859
Names & identifiers
- Preferred name
- N-(4-Pentynyl)phthalimide
- IUPAC
- 2-pent-4-ynylisoindole-1,3-dione
- English name
- N-(4-Pentynyl)phthalimide 97
- Molecular formula
- C13H11NO2
- Molecular weight
- 213.23
Names & synonyms
6097-07-0N-(4-Pentynyl)phthalimide2-(Pent-4-yn-1-yl)isoindoline-1,3-dione2-(pent-4-ynyl)isoindoline-1,3-dione2-pent-4-ynylisoindole-1,3-dioneMFCD06798110N-(4-PENTYNYL)PHTHALIMIDE 97N-(4-Pentynyl)phthalimide 97%N-(4-pentynyl) phthalimideN-(pent-4-ynyl)phthalimideSCHEMBL314533SCHEMBL30797187
Show more names
SKL612N-(4-Pentynyl)phthalimide 97N-(4-pentylyneyl)phthalazineacylisoamine2-(pent-4-ynyl)1H-isoindole-1,3(2H)-dione
2-(pent-4-yn-1-yl)-2,3-dihydro-1H-isoindole-1,3-dioneDTXSID10472178N-(4-Pentynyl)phthalimide, 97%2-pent-4-ynyl-isoindole-1,3-dione2-pent-4-ynylisoindoline-1,3-dioneAKOS015898136SB64168AS-87567
Database identifiers
- CAS
6097-07-0- PubChem CID
- 11769822
- DTXSID
DTXSID10472178- Nikkaji
- J1.185.220C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 87 · 87-91 °C (lit.)
- Boiling point
- 339.7 · 339.7±25.0 °C(Predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- -2.18 · -2.18±0.20(Predicted)
- form
- solid
- Appearance
- White to light yellow Solid
- InChI
- 1S/C13H11NO2/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(14)16/h1,4-5,7-8H,3,6,9H2
- InChIKey
- YNZIPXLLPFYDGM-UHFFFAOYSA-N
- SMILES
- O=C1N(CCCC#C)C(=O)c2ccccc12
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 29251995
- risk_code
- 36-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H319
- Hazard Classifications
- Eye Irrit. 2Skin Sens. 1
- Precautionary statements
- P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesN-(4-Pentynyl)phthalimide is used as pharmaceutical intermediate.
Suppliers37 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
武汉永璨生物科技有限公司17702719238 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
赛默飞世尔科技（中国）有限公司
Related reactions
9 records
Compound notes
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