Cas no 575-61-1 (3-Benzalphthalide)
3-Benzalphthalide structure
Product Name:3-Benzalphthalide
CAS No:575-61-1
MF:C15H10O2
MW:222.238704204559
MDL:MFCD00005929
CID:82557
PubChem ID:87564150
Update Time:2025-04-18
3-Benzalphthalide Chemical and Physical Properties
Names and Identifiers
-
- 3-Benzylideneisobenzofuran-1(3H)-one
- 3-Benzylidenephthalide
- Benzalphthalein
- (3Z)-3-Benzylidene-2-benzofuran-1(3H)-one
- 1(3H)-Isobenzofuranone, 3-(phenylmethylene)-
- 3-(phenylmethylene)-1(3h)-isobenzofuranon
- 3-benzylidene-phthalid
- Benzalphthalid
- benzylidenephthalide
- escalol547
- Phthalide, 3-benzylidene-
- 3-Benzalphthalide
- 3-(phenylmethylene)-1(3H)-Isobenzofuranone
- BENZALPHTHALIDE
- YRTPZXMEBGTPLM-UHFFFAOYSA-N
- 3-benzylidene-2-benzofuran-1-one
- (3Z)-3-benzylideneisobenzofuran-1-one
- (3Z)-3-benzylidene-2-benzofuran-1-one
- 4767-56-0
- MLS000584766
- Benzalphthalide, (Z)-
- SCHEMBL214423
- AKOS000567737
- SR-01000438153
- 3-[1-Phenyl-meth-(Z)-ylidene]-3H-isobenzofuran-1-one
- YRTPZXMEBGTPLM-UVTDQMKNSA-N
- SMR000203729
- AE-641/05032029
- CHEBI:113035
- HMS2619E19
- A831503
- AT15806
- HY-118659
- 3-Benzylidene-3H-isobenzofuran-1-one
- (3Z)-3-Benzylidene-2-benzofuran-1(3H)-one #
- (Z)-3-benzylideneisobenzofuran-1(3H)-one
- AC-11676
- NSC-2824
- BDBM50441021
- (Z)-benzalphthalide
- NSC2824
- VS-08562
- PD119248
- MFCD00005929
- CS-0067707
- NCGC00245849-01
- InChI=1/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H/b14-10
- B1214
- SR-01000438153-1
- AC-31127
- Q27287989
- (Z)-3-Benzylidenephthalide
- UNII-R93GN14K61
- 575-61-1
- R93GN14K61
- HMS1610I16
- 3-benzylidene-2-benzofuran-1(3h)-one
- (3Z)-3-(phenylmethylidene)-1,3-dihydro-2-benzofuran-1-one
- 1(3H)-isobenzofuranone, 3-(phenylmethylene)-, (3Z)-
- 1(3H)-Isobenzofuranone, 3-(phenyl)methylene]-, (3Z)-
- CHEMBL67365
- BBL027545
- STK862417
-
- MDL： MFCD00005929
- Inchi： 1S/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H/b14-10-
- InChI Key： YRTPZXMEBGTPLM-UVTDQMKNSA-N
- SMILES： O1C(C2C=CC=CC=2/C/1=C/C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 222.06800
- Monoisotopic Mass: 222.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 326
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 26.3
Experimental Properties
- Color/Form: Powder
- Density: 1.278±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 100.0 to 104.0 deg-C
- Boiling Point: 323.41°C (rough estimate)
- Flash Point: 156.9oC
- Refractive Index: 1.6600 (estimate)
- Solubility: Insuluble (7.3E-3 g/L) (25 oC),
- PSA: 26.30000
- LogP: 3.35510
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
3-Benzalphthalide Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： S24/25
- RTECS：TI3686000
-
Hazardous Material Identification：
- Safety Term：S24/25
- Risk Phrases：R20/21/22
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-Benzalphthalide Customs Data
- HS CODE：2932209090
- Customs Data：
China Customs Code:
2932209090Overview:
2932209090. Other lactones. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-Benzalphthalide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B152738-5g |
3-Benzalphthalide |
575-61-1 | >99.0%(GC) | 5g |
￥45.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B152738-25G |
3-Benzalphthalide |
575-61-1 | >99.0%(GC) | 25g |
￥154.90 | 2023-09-04 | |
| TRC | B185803-250mg |
3-Benzalphthalide |
575-61-1 | 250mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B185803-500mg |
3-Benzalphthalide |
575-61-1 | 500mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B185803-2.5g |
3-Benzalphthalide |
575-61-1 | 2.5g |
$ 80.00 | 2022-06-07 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | B1806-100G |
3-Benzalphthalide |
575-61-1 | 100G |
￥608.12 | 2022-02-24 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B1214-25g |
3-Benzalphthalide |
575-61-1 | 99.0%(GC) | 25g |
￥245.0 | 2022-05-30 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B871315-5g |
3-Benzalphthalide |
575-61-1 | 99% | 5g |
￥58.00 | 2022-09-02 | |
| YUN NAN XI LI SHENG WU JI SHU GU FEN Co., Ltd. | BBP80747-5mg |
3-Benzalphthalide |
575-61-1 | 98.0% | 5mg |
￥100 | 2021-05-07 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | B1214-25G |
3-Benzalphthalide |
575-61-1 | >99.0%(GC) | 25g |
￥260.00 | 2024-04-16 |
3-Benzalphthalide Related Literature
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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