Basic information
- CAS
62882-01-3- Standard SMILES
Cc1cccc2cnccc12- InChIKey
QHRZMGDJNNDMGZ-UHFFFAOYSA-N- Molecular formula
- C10H9N
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.07349929
Names & identifiers
- Preferred name
- 5-Methylisoquinoline
- IUPAC
- 5-methylisoquinoline
- English name
- 5-methylisoquinoline
- Molecular formula
- C10H9N
- Molecular weight
- 143.19
Names & synonyms
5-Methylisoquinoline62882-01-3EINECS 263-748-9DTXSID40212049RefChem:103204DTXCID90134540263-748-95-methyl-isoquinolineMFCD11849461SCHEMBL12271SCHEMBL2357116SCHEMBL2357862
Show more names
Isoquinoline, 5-methyl-
SCHEMBL2358388SCHEMBL3147494AKOS015901951DB-080704NS00035208E79659EN300-204219
Database identifiers
- CAS
62882-01-3- PubChem CID
- 3085255
- DTXSID
DTXSID40212049- EC Number
- 263-748-9
- Nikkaji
- J307.143J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Melting point
- 47 · 47-48 °C
- Boiling point
- 270 · 270.0±9.0 °C(Predicted)
- Density
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- pka
- 5.54 · 5.54±0.13(Predicted)
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
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%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers9 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
重庆卡兰医药有限公司[email protected]
江苏博思特化工科技有限公司87161895 15651337098 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
3 records
Compound notes
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