7-Chloroisoquinoline
Basic information
- CAS
34784-06-0- Standard SMILES
Clc1ccc2ccncc2c1- InChIKey
PIOJSCVWTGEZLN-UHFFFAOYSA-N- Molecular formula
- C9H6ClN
- Average molar mass
- 163.6 g/mol
- Monoisotopic mass
- 163.0188769
Names & identifiers
- Preferred name
- 7-Chloroisoquinoline
- IUPAC
- 7-chloroisoquinoline
- English name
- 7-Chloroisoquinoline
- Molecular formula
- C9H6ClN
- Molecular weight
- 163.6
Names & synonyms
7-chloroisoquinoline34784-06-0isoquinoline, 7-chloro-DTXSID10348824RefChem:105955DTXCID00299896636-430-6InChI=1/C9H6ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-6MFCD00094995SCHEMBL691988AKOS006271855CS-W007219
Show more names
7-Chloroisoquinoline hydrochloride7-CHLOROISOQUINOLINE ISO 9001：2015 REACH
MB00648DS-13166SY0655887-Chloro-isoquinolineEN300-138751Z1198150534N,N-Dimethyl-1-(quinolin-2-yl)methanamineFT-0709720
Database identifiers
- CAS
34784-06-0- PubChem CID
- 640953
- DTXSID
DTXSID10348824- EC Number
- 636-430-6
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 138
Physicochemical properties
- Melting point
- 44 · 44-45℃
- Boiling point
- 289.5 · 289.5±13.0 °C(Predicted)
- Density
- 1.27 · 1.270
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.62 · 4.62±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
- 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
Danger
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- hs_code
- 2933499090
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H315-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses7-Chloroisoquinoline is used in preparation of 1H-1,2,3-triazole-5-carboxylic acid derivatives as glycolate oxidase inhibitors for treatment of hyperoxaluria and related diseases.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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