Basic information
- CAS
31540-62-2- Standard SMILES
O=C(CCC[NH+]1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(F)cc1.[Cl-]- InChIKey
LGNFRLBPCVLGOB-UHFFFAOYSA-N- Molecular formula
- C21H21ClF2N2O
- Average molar mass
- 390.9 g/mol
- Monoisotopic mass
- 390.1310473
Overview
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Names & identifiers
- Preferred name
- Abbott-30360
- IUPAC
- 1-(4-fluorophenyl)-4-(8-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-2-yl)butan-1-one chloride
- English name
- 4'-FLUORO-4-(8-FLUORO-1,3,4,5-TETRAHYDRO-2H-PYRIDOó4,3-B]INDOL-2-YL)BUTYROPHENONEHCL,99%
- Molecular formula
- C21H21ClF2N2O
- Molecular weight
- 390.8540464
Names & synonyms
31540-62-21-(4-fluorophenyl)-4-(8-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-2-yl)butan-1-one;chlorideAbbott-30360EINECS 250-688-34-(8-fluoro(1,2,3,4-tetrahydropyridino[4,3-b]indol-2-yl))-1-(4-fluorophenyl)bu tan-1-one, chlorideButyrophenone, 4'-fluoro-4-(8-fluoro-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indol-2-yl)-hydrochlorideSBB057555AKOS0251169524'-FLUORO-4-(8-FLUORO-1,3,4,5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOL-2-YL)BUTYROPHENONE HCL,99%8-Fluoro-2-(4-(4-fluorophenyl)-4-oxobutyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-ium chloride-yl)-hydrochloridebutyrophenone,4’-fluoro-4-(8-fluoro-2,3,4,5-tetrahydro-1h-pyrido(4,3-b)indol-2
Show more names
1-(4-F-PH)-4-(8-F-1,3,4,5-4H-PYRIDO(4,3-B)INDOL-2-YL)-BUTAN-1-ONE, HYDROCHLORIDE4''-FLUORO-4(8-FLUORO-1,3,4,5,-TETRAHYDRO-2H-PYRIDO4,3-BINDOL-2-YL)BUTYROPHENON.HCL4'-Fluoro-4-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butyrophenoneHCl4'-FLUORO-4-(8-FLUORO-1,3,4,5-TETRAHYDRO-2H-PYRIDOó4,3-B]INDOL-2-YL)BUTYROPHENONEHCL,99%4'-Fluoro-4-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butyrophenone hydrochl4'-Fluoro-4-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butyrophenone hydrochloride
Database identifiers
- CAS
31540-62-2- PubChem CID
- 35835
- EC Number
- 250-688-3
Properties
Computed structural properties
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Melting point
- 212 · 212-214°
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 331 · H331-H311-H301
- Precautionary statements
- 261 · P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
- RTECS
- 2625000 · EU2625000
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
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)
Safety data
- rtecs
- EU2625000
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H331-H311-H301
- Precautionary statements
- P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
Chemistry & industry
Suppliers4 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Service Chemical Inc.[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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