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1-Bromo-Pyrene

1-Bromo-Pyrene structure

CAS No:
1714-29-0
Formula:
C16H9Br
Chemical Name:
1-Bromo-Pyrene
Synonyms:
1-Brpy;Pyrene, 1-bromo-;4-bromopyrene;Pyrene,1-bromo-;1-Pyrenyl bromide;
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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1-Bromo-Pyrene Basic Attributes

Molecular Weight：

281.15

Exact Mass：

279.988770

EC Number：

1312995-182-4

DSSTox ID：

DTXSID70169077

HScode：

2903999090

Characteristics

PSA：

XLogP3：

5.7

Appearance：

Crystalline

Density：

1.6±0.1 g/cm3

Melting Point：

102-105 °C(lit.)

Boiling Point：

255 °C / 7mmHg

Flash Point：

209.4±14.5 °C

Refractive Index：

1.858

Vapor Pressure：

5.91E-07mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-bromopyrene

1-Bromo-Pyrene Use and Manufacturing

Methods of Manufacturing

A solution of NBS (187 mg, 1.05 mmol) in dry DMF (5 mL) was added to a solution of pyrene (252 mg, 1.0 mmol) in dry DMF (10 mL) and stirred at room temperature 24 h [20]. After reaction, the mixture was poured into water (50 mL) and extracted with dichloromethane (100 mL). The extract was washed well with water, dried (MgSOIn the 500 ml three-neck flask, pyrene (20.2 g, 0.1mol ) was dissolved in the 200ml CHStep 1: Under nitrogen protection conditions, Pyrene 1g (4.9mmol)And 974 mg (5.5 mmol) of benzyltrimethylammonium tribromide (NBS)Dissolved in 50 ml of dichloromethane, The mixture was stirred at room temperature for 5 hours, filter, Recrystallization from methylene chloride and n-hexane, 1-bromopyrene (1.08 g) was obtained in a yield of 78percentWeigh 10g pyrene and 9g NBS dissolved in 100mL chloroform, NPyrene (2 g, 9.9 mmol), NBS (1.78 g, 10 mmol) were dissolved in 20 mL of CHClPyrene (404 mg, 2 mmol), Potassium bromide (143 mg, 1.2 mmol), Acetic acid 9ml, water 1ml, Dichloromethane 5ml of mixed Combined solution followed by adding with a condenser, In a three-necked flask of a thermometer, Transferred to a constant temperature magnetic stirring water bath, In 15min Slowly add ZnAl

Uses

1-Bromopyrene is used in the cleavage of DNA in studies. It is also used in the preparation of DNA base analogs.

Computed Properties

Molecular Weight:281.15
XLogP3:5.7
Exact Mass:279.98876
Monoisotopic Mass:279.98876
Heavy Atom Count:17
Complexity:300
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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