Cas no 855991-71-8 (9-CHLORO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBOXYLIC ACID)
855991-71-8 structure
Product Name:9-CHLORO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBOXYLIC ACID
CAS No:855991-71-8
MF:C10H9ClO4
MW:228.629062414169
CID:844366
PubChem ID:4962532
Update Time:2025-04-19
9-CHLORO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBOXYLIC ACID Chemical and Physical Properties
Names and Identifiers
-
- 9-CHLORO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBOXYLIC ACID
- 9-CHLORO-3,4-DIHYDRO-2H-BENZO[B][1,4]DIOXEPINE-7-CARBOXYLIC ACID
- EN300-13602
- 855991-71-8
- J-519501
- SCHEMBL14907127
- AKOS000118520
- Z90664673
- 9-Chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid, AldrichCPR
- AB00733901-01
- 9-Chloro-3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-carboxylicacid
- 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid
- MFCD07311520
- CS-0233776
- G76094
-
- MDL： MFCD07311520
- Inchi： 1S/C10H9ClO4/c11-7-4-6(10(12)13)5-8-9(7)15-3-1-2-14-8/h4-5H,1-3H2,(H,12,13)
- InChI Key： YRBNNMVMXYLCSW-UHFFFAOYSA-N
- SMILES： ClC1=CC(C(=O)O)=CC2=C1OCCCO2
Computed Properties
- Exact Mass: 228.0189365g/mol
- Monoisotopic Mass: 228.0189365g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 246
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- Density: 1.4±0.1 g/cm3
- Melting Point: 199-201 °C
- Boiling Point: 378.6±42.0 °C at 760 mmHg
- Flash Point: 182.8±27.9 °C
- Vapor Pressure: 0.0±0.9 mmHg at 25°C
9-CHLORO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBOXYLIC ACID Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazard Category Code： 22
- Safety Instruction： H303+H313+H333
-
Hazardous Material Identification：
- HazardClass：IRRITANT
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
9-CHLORO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBOXYLIC ACID Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-13602-0.05g |
9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid |
855991-71-8 | 95% | 0.05g |
$66.0 | 2023-02-09 | |
| Enamine | EN300-13602-0.1g |
9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid |
855991-71-8 | 95% | 0.1g |
$98.0 | 2023-02-09 | |
| Enamine | EN300-13602-0.25g |
9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid |
855991-71-8 | 95% | 0.25g |
$142.0 | 2023-02-09 | |
| Enamine | EN300-13602-0.5g |
9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid |
855991-71-8 | 95% | 0.5g |
$271.0 | 2023-02-09 | |
| Enamine | EN300-13602-1.0g |
9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid |
855991-71-8 | 95% | 1.0g |
$371.0 | 2023-02-09 | |
| Enamine | EN300-13602-2.5g |
9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid |
855991-71-8 | 95% | 2.5g |
$726.0 | 2023-02-09 | |
| Enamine | EN300-13602-5.0g |
9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid |
855991-71-8 | 95% | 5.0g |
$1074.0 | 2023-02-09 | |
| Enamine | EN300-13602-10.0g |
9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid |
855991-71-8 | 95% | 10.0g |
$1593.0 | 2023-02-09 | |
| TRC | T776765-25mg |
9-Chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic Acid |
855991-71-8 | 25mg |
$ 50.00 | 2022-06-02 | ||
| TRC | T776765-50mg |
9-Chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic Acid |
855991-71-8 | 50mg |
$ 95.00 | 2022-06-02 |
9-CHLORO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBOXYLIC ACID Related Literature
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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