Basic information
- CAS
17223-45-9- Standard SMILES
CN1CCc2[nH]c3ccc(Cl)cc3c2C1- InChIKey
KFCWIHUDWIRLEE-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2
- Average molar mass
- 220.7 g/mol
Names & identifiers
- Preferred name
- 8-chloro-2-methyl-1H,2H,3H,4H,5H-pyrido(4,3-b)indole
- IUPAC
- 8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
- English name
- 8-chloro-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
- Molecular formula
- C12H13ClN2
- Molecular weight
- 220.7
Names & synonyms
17223-45-98-chloro-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole8-chloro-2-methyl-1H,2H,3H,4H,5H-pyrido(4,3-b)indoleRefChem:547906871-033-38-Chloro-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indoleMFCD030057898-Chloro-2,3,4,5-tetrahydro-2-methyl-1H-pyrido[4,3-b]indole1H-Pyrido[4,3-b]indole, 8-chloro-2,3,4,5-tetrahydro-2-methyl-PY3SDQ9L6L6-Chloro-3-methyl-1,2,3,4-tetrahydrocarboline
Show more names
SCHEMBL167328CHEMBL160173HMS1621A02SAA22345STL513494AKOS004119530SS-3475NCGC00167414-01
Database identifiers
- CAS
17223-45-9- PubChem CID
- 19615
- ChEMBL
CHEMBL160173- UNII
- PY3SDQ9L6L
- EC Number
- 871-033-3
- Nikkaji
- J526.321B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 193 · 193-195 °C(Solv: water (7732-18-5); ethanol (64-17-5))
- Boiling point
- 359 · 359.0±37.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- pka
- 16.51 · 16.51±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
293 records
Compound notes
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