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3-BROMO-4-HYDROXY-5-METHOXYBENZONITRILE

3-BROMO-4-HYDROXY-5-METHOXYBENZONITRILE structure

CAS No:
52805-45-5
Formula:
C8H6BrNO2
Chemical Name:
3-BROMO-4-HYDROXY-5-METHOXYBENZONITRILE
Synonyms:
3-bromo-4-hydroxy-5-methoxybenzonitrile;3-bromo-4-hydroxy-5-methoxybenzenecarbonitrile;3-Bromo-4-Hydroxy-5-Methoxy-Benzonitrile;ACMC-1ATRH;SCHEMBL8440705;CTK1G8799;DTXSID40427393;ALBB-008944;ZINC2573235;4991AE

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3-BROMO-4-HYDROXY-5-METHOXYBENZONITRILE Basic Attributes

Molecular Weight：

228.05

Exact Mass：

226.95800

DSSTox ID：

DTXSID40427393

HScode：

2926909090

Characteristics

PSA：

53.2

XLogP3：

2.03498

Density：

1.71g/cm3

Melting Point：

143-146 °C

Boiling Point：

280.7ºC at 760 mmHg

Flash Point：

123.6ºC

Refractive Index：

1.624

Storage Conditions：

2-8°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN3439

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (99.24%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 132 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:228.04
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:226.95819
Monoisotopic Mass:226.95819
Topological Polar Surface Area:53.2
Heavy Atom Count:12
Complexity:201
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-BROMO-4-HYDROXY-5-METHOXYBENZONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-BROMO-4-HYDROXY-5-METHOXYBENZONITRILE

SDS

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