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3-Methylisoquinoline

3-Methylisoquinoline structure

CAS No:
1125-80-0
Formula:
C10H9N
Chemical Name:
3-Methylisoquinoline
Synonyms:
Isoquinoline,3-methyl-;3-Methylisoquinoline;NSC 4619;NSC 475
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-Methylisoquinoline Basic Attributes

Molecular Weight：

143.19

Exact Mass：

143.19

EC Number：

214-412-5

UNII：

4QUO6NYB5J

NSC Number：

4619|475

DSSTox ID：

DTXSID2075180

HScode：

29334900

Characteristics

PSA：

12.9

XLogP3：

2.42

Density：

1.0584 (estimate)

Melting Point：

68 °C

Boiling Point：

249 °C

Flash Point：

106.8±11.4 °C

Refractive Index：

1.6152 (estimate)

Flammability characteristics：

Thermal decomposition of toxic nitrogen oxide gas

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

RTECS Number：

NX2000000

Marks：

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Precautionary statement(s)：

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

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Computed Properties

Molecular Weight:143.18
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Exact Mass:143.073499291
Monoisotopic Mass:143.073499291
Topological Polar Surface Area:12.9
Heavy Atom Count:11
Complexity:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1125-80-0

Grade: Pharmaceutical Grade

Content: 99%

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