Basic information
- CAS
5411-61-0- Standard SMILES
COc1ccc(Br)c2c1C(=O)CC2- InChIKey
OJDMKCLDADYDRL-UHFFFAOYSA-N- Molecular formula
- C10H9BrO2
- Average molar mass
- 241.08 g/mol
- Monoisotopic mass
- 239.97859163
Names & identifiers
- Preferred name
- 4-Bromo-7-methoxy-1-indanone
- IUPAC
- 4-bromo-7-methoxy-2,3-dihydroinden-1-one
- English name
- 4-Bromo-7-methoxy-indan-1-one
- Molecular formula
- C10H9BrO2
- Molecular weight
- 241.08
Names & synonyms
4-bromo-7-methoxy-1-indanoneRefChem:520334685-763-35411-61-04-bromo-7-methoxy-2,3-dihydro-1h-inden-1-one4-Bromo-7-methoxy-indan-1-one4-bromo-7-methoxy-2,3-dihydroinden-1-oneMFCD10565602MLS000737935SCHEMBL9036025HMS2885B11AKOS015904182
Show more names
NSC 109954-Bromo-7-methoxyindanone4-Bromo-7-methoxy-1-indanone 97%4-chloro-2,6-bis(1-piperidinyl)pyrimidine4-Bromo-2,3-dihydro-7-methoxy-1H-inden-1-one1H-Inden-1-one, 4-broMo-2,3-dihydro-7-Methoxy-
AS-39946SMR000528094SY019561CS-0140242Z12691422874-Bromo-7-methoxy-1-indanone;4-bromo-7-methoxy-2,3-dihydroinden-1-oneNSC10995AM806853
Database identifiers
- CAS
5411-61-0- PubChem CID
- 223379
- DTXSID
DTXSID90278998- ChEMBL
CHEMBL1587688- EC Number
- 685-763-3
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 134 · 134-138 °C
- Boiling point
- 369 ℃ · 369℃
- Density
- 1.553 · 1.553
- Flash point
- 177 ℃ · 177℃
- storage temp.
- 2 · 2-8°C
- form
- solid
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C10H9BrO2/c1-13-9-5-3-7(11)6-2-4-8(12)10(6)9/h3,5H,2,4H2,1H3
- InChIKey
- OJDMKCLDADYDRL-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C(Br)=CC=C2OC)CC1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- HS Code
- 2914790090 · 2914790090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2914790090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers51 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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Aladdin Scientific[email protected]
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上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
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Related reactions
3 records
Compound notes
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