5-Amino-1-chloroisoquinoline

HCID 459771

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Basic information

CAS: 374554-54-8
Standard SMILES: Nc1cccc2c(Cl)nccc12
InChIKey: DDELEGMETMZLAF-UHFFFAOYSA-N
Molecular formula: C9H7ClN2
Average molar mass: 178.62 g/mol
Monoisotopic mass: 178.0297759

Names & identifiers

Preferred name: 5-Amino-1-chloroisoquinoline
IUPAC: 1-chloroisoquinolin-5-amine
English name: 5-Amino-1-chloroisoquinoline
Molecular formula: C9H7ClN2
Molecular weight: 178.62

Names & synonyms

5-Amino-1-chloroisoquinoline374554-54-8DTXSID20332698RefChem:300895DTXCID60283791689-871-11-chloroisoquinolin-5-amineMFCD092586401-chloro-5-isoquinolinamine1-chloro-5-isoquinolylamine1-chloro-5-aminoisoquinolineSCHEMBL2380637

Show more names

5-amine-1-chloroisoquinolin5-Isoquinolinamine, 1-chloro-5-Amino-1-chloroisoquinoline98%5-Amino-1-chloroisoquinoline 98%5-Isoquinolinamine,1-chloro-(9CI)1-Chloroisoquinolin-5-amine - [C8929]5-Amino-1-chloroisoquinoline ISO 9001：2015 REACH

SCHEMBL31339851DDELEGMETMZLAF-UHFFFAOYSA-NCS1338SBB070230AKOS005257226AB92175PS-5639AC-31857

Database identifiers

CAS: 374554-54-8
PubChem CID: 459771
DTXSID: DTXSID20332698
EC Number: 689-871-1
Nikkaji: J3.787.585F

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 163

Physicochemical properties

storage temp.: 2 · 2-8°C(protect from light)
Appearance: Yellow to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2933499090 · 2933499090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.