1-Chloro-3-methylisoquinoline
Basic information
- CAS
7115-16-4- Standard SMILES
Cc1cc2ccccc2c(Cl)n1- InChIKey
RWAHYDUCMPRQOP-UHFFFAOYSA-N- Molecular formula
- C10H8ClN
- Average molar mass
- 177.63 g/mol
- Monoisotopic mass
- 177.034527
Names & identifiers
- Preferred name
- 1-Chloro-3-methylisoquinoline
- IUPAC
- 1-chloro-3-methylisoquinoline
- English name
- 1-Chloro-3-methyl-isoquinoline
- Molecular formula
- C10H8ClN
- Molecular weight
- 177.63
Names & synonyms
1-chloro-3-methylisoquinolineisoquinoline, 1-chloro-3-methyl-RefChem:431345674-991-9InChI=1/C10H8ClN/c1-7-6-8-4-2-3-5-9(8)10(11)12-7/h2-6H,1H1-Chloro-3-methyl-isoquinoline7115-16-4MFCD09261357SCHEMBL1536340SCHEMBL30544379DTXSID10348829HAA11516
Show more names
AKOS010669630SB38413AS-37306CS-0172179EN300-128318F035901F2199-0006
Database identifiers
- CAS
7115-16-4- PubChem CID
- 640958
- DTXSID
DTXSID10348829- EC Number
- 674-991-9
- Nikkaji
- J3.396.645H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Comptox DTXSID
- 10348829 · DTXSID10348829
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2933499090 · 2933499090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…