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7-METHOXY-ISOQUINOLINE

7-METHOXY-ISOQUINOLINE structure

CAS No:
39989-39-4
Formula:
C10H9NO
Chemical Name:
7-METHOXY-ISOQUINOLINE
Synonyms:
7-METHOXY-ISOQUINOLINE;7-Methoxyisoquinoline 96%;7-Methoxy-2-azanaphthalene;Isoquinoline, 7-methoxy-
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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7-METHOXY-ISOQUINOLINE Basic Attributes

Molecular Weight：

159.18456

Exact Mass：

159.068420

EC Number：

DSSTox ID：

DTXSID30344085

HScode：

2933499090

Characteristics

PSA：

22.1

XLogP3：

2.2

Density：

1.1±0.1 g/cm3

Melting Point：

49°C

Boiling Point：

295.6°C at 760 mmHg

Flash Point：

108.4±10.1 °C

Refractive Index：

1.611

Safety Information

hazard class code：

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:159.18
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:159.068413911
Monoisotopic Mass:159.068413911
Topological Polar Surface Area:22.1
Heavy Atom Count:12
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes