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2-(3-chloropropanoyl)-1,2,3,4-tetrahydroisoquinoline

2-(3-chloropropanoyl)-1,2,3,4-tetrahydroisoquinoline structure

CAS No:
10579-67-6
Formula:
C12H14ClNO
Chemical Name:
2-(3-chloropropanoyl)-1,2,3,4-tetrahydroisoquinoline
Synonyms:
2-(3-chloropropanoyl)-1,2,3,4-tetrahydroisoquinoline;UKRORGSYN-BB BBV-031529;2-(3-chloropropanoyl)-1,2,3,4-tetrahydroisoquinoline(SALTDATA: FREE);3-chloro-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

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2-(3-chloropropanoyl)-1,2,3,4-tetrahydroisoquinoline Basic Attributes

Molecular Weight：

223.7

Exact Mass：

223.07600

NSC Number：

59438

DSSTox ID：

DTXSID60289157

HScode：

2933499090

Characteristics

PSA：

20.3

XLogP3：

2.13810

Density：

1.199g/cm3

Boiling Point：

390.5ºC at 760 mmHg

Flash Point：

190ºC

Refractive Index：

1.564

Vapor Pressure：

2.63E-06mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, 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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:223.70
XLogP3:1.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:223.0763918
Monoisotopic Mass:223.0763918
Topological Polar Surface Area:20.3
Heavy Atom Count:15
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(3-chloropropanoyl)-1,2,3,4-tetrahydroisoquinoline

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-(3-chloropropanoyl)-1,2,3,4-tetrahydroisoquinoline

SDS

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