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7-broMo-3,4-dihydro-1H-isochroMene

7-broMo-3,4-dihydro-1H-isochroMene structure

CAS No:
149910-98-5
Formula:
C9H9BrO
Chemical Name:
7-broMo-3,4-dihydro-1H-isochroMene
Synonyms:
7-bromoisochroman;1H-2-Benzopyran, 7-bromo-3,4-dihydro-;7-bromoisochromane;7-bromo-3,4-dihydro-1H-isochromene;SCHEMBL4523516;CTK8C1147;DTXSID10441743;KS-00000QF5;7-bromo-3,4-dihydro-1H-isochromen;7481AA

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7-broMo-3,4-dihydro-1H-isochroMene Basic Attributes

Molecular Weight：

213.07116

Exact Mass：

211.983673

DSSTox ID：

DTXSID10441743

HScode：

2932999099

Characteristics

PSA：

9.2

XLogP3：

2.3

Density：

1.484±0.06 g/cm3(Predicted)

Boiling Point：

279.4±40.0 °C(Predicted)

Flash Point：

110.6±28.5 °C

Refractive Index：

1.580

Safety Information

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.

7-broMo-3,4-dihydro-1H-isochroMene Use and Manufacturing

General procedure: A mixture of the substituted phenylethyl alcohol (10 mmol), Chloromethyl methyl ether (15mmol) and N, N-diisopropylethylamine (20 mmol) in dry dichloromethane (25 mL)was stirred under nitrogen atmosphere for 2.5 h at rt. The reaction mixture wasthen washed with water (2×50 mL), dried (NaSOA mixture of

Computed Properties

Molecular Weight:213.07
XLogP3:2.3
Hydrogen Bond Acceptor Count:1
Exact Mass:211.98368
Monoisotopic Mass:211.98368
Topological Polar Surface Area:9.2
Heavy Atom Count:11
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-broMo-3,4-dihydro-1H-isochroMene

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

7-broMo-3,4-dihydro-1H-isochroMene

SDS

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