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1-Bromooctane

1-Bromooctane structure

CAS No:
111-83-1
Formula:
C8H17Br
Chemical Name:
1-Bromooctane
Synonyms:
Octane,1-bromo-;1-Bromooctane;Octyl bromide;n-Octyl bromide;1-Octylbromide;NSC 9821;8-Bromooctane;1465759-06-1
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

CLEAR COLOURLESS TO YELLOW-BROWN LIQUID

1-Bromooctane Basic Attributes

Molecular Weight：

193.12

Exact Mass：

193.12

BRN：

1733136

EC Number：

203-912-9

UNII：

Q382HPC6LC

NSC Number：

9821

DSSTox ID：

DTXSID3021938

HScode：

29033036

Characteristics

PSA：

XLogP3：

4.9

Appearance：

Clear colorless to yellow-brown Liquid

Density：

1.13312 g/cm³ @ Temp: 0 °C

Melting Point：

-55 °C

Boiling Point：

200 °C

Flash Point：

173 °F

Refractive Index：

n 20/D 1.452(lit.)

Water Solubility：

insoluble

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.34 mm Hg ( 25 °C)

Vapor Density：

6.7 (vs air)

Toxicity：

Oral-rat LD50: 5020 mg/kg

Flammability characteristics：

Thermal decomposition to emit toxic bromide fumes

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)

wgk germany：

hazard class code：

36/37/38-50/53

safety instructions：

23-24/25-61-60

RTECS Number：

RG8575000

Marks：

Storage features：

Warehouse ventilated, low temperature and dry; airtight storage

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P273-P501

Hazard Statements：

H410

GHS Classification：

|Warning|H315 (12.28%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P391, and P501|Aggregated GHS information provided by 57 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

nontoxic

1-Bromooctane Use and Manufacturing

Methods of Manufacturing

From the reaction of octanol and hydrobromic acid. After completely dissolving sodium bromide with sulfuric acid, add n-octanol, heat to reflux for 7-8h, dilute with water after cooling, separate the organic phase, wash with water, concentrated sulfuric acid, water, 10% sodium carbonate solution in turn, and use anhydrous sulfuric acid Sodium dry. Distillation 196-200 ℃, or 91-93 ℃ (2.93kPa) fraction is the finished product. The yield is over 90%. Uses: For organic synthesis. Intermediate of Bacterium Toxin.

Uses

Used in organic synthesis. Intermediate of Junduqing. Mainly used in organic synthesis; organic synthesis intermediate.

Manufacturing Info：

Octane, 1-bromo-: ACTIVE

Computed Properties

Molecular Weight:193.12
XLogP3:4.9
Rotatable Bond Count:6
Exact Mass:192.05136
Monoisotopic Mass:192.05136
Heavy Atom Count:9
Complexity:43.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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