6-Chloro-1,2-dihydroisoquinolin-1-one
Basic information
- CAS
131002-09-0- Standard SMILES
O=c1[nH]ccc2cc(Cl)ccc12- InChIKey
AVLGVJHAZWURPZ-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO
- Average molar mass
- 179.6 g/mol
- Monoisotopic mass
- 179.0137915
Names & identifiers
- Preferred name
- 6-Chloro-1,2-dihydroisoquinolin-1-one
- IUPAC
- 6-chloro-2H-isoquinolin-1-one
- English name
- 6-chloroisoquinolin-1(2H)-one
- Molecular formula
- C9H6ClNO
- Molecular weight
- 179.6
Names & synonyms
6-chloro-1,2-dihydroisoquinolin-1-oneRefChem:541362877-606-46-chloroisoquinolin-1(2H)-one131002-09-06-Chloroisoquinolin-1-ol6-chloro-2H-isoquinolin-1-one1(2H)-Isoquinolinone, 6-chloro-6-Chloro-1(2h)-isoquinolinoneMFCD077002906-chloro-1-isoquinolinone6-Chloro-isoquinolin-1-ol
Show more names
SCHEMBL1536304SCHEMBL8147969DTXSID20617932AVLGVJHAZWURPZ-UHFFFAOYSA-NGFA00209CL1049MFCD11870518AKOS015919108
Database identifiers
- CAS
131002-09-0- PubChem CID
- 21779697
- DTXSID
DTXSID20617932- EC Number
- 877-606-4
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 430.4 · 430.4±45.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.06 · 12.06±0.20(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- 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 3 reports by companies from 1 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
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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