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Ethyl 6-bromohexanoate

Ethyl 6-bromohexanoate structure

CAS No:
25542-62-5
Formula:
C8H15BrO2
Chemical Name:
Ethyl 6-bromohexanoate
Synonyms:
Hexanoic acid,6-bromo-,ethyl ester;Ethyl 6-bromohexanoate;Ethyl 6-bromocaproate;6-Bromohexanoic acid ethyl ester;5-Carbethoxypentyl bromide;671195-34-9
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless liquid

Ethyl 6-bromohexanoate Basic Attributes

Molecular Weight：

223.11

Exact Mass：

223.11

BRN：

1756051

EC Number：

247-085-2

DSSTox ID：

DTXSID60180236

HScode：

2915900090

Characteristics

PSA：

26.3

XLogP3：

2.2

Appearance：

White to slightly beige Powder or Granular Powder

Density：

1.241 g/cm³ @ Temp: 23 °C

Melting Point：

33 °C

Boiling Point：

128-130 °C @ Press: 16 Torr

Flash Point：

137 °F

Refractive Index：

1.461

Water Solubility：

soluble in water (water, 64.76 mg/L @ 25°C (est.)).

Safety Information

Hazard category：

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226 (89.36%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 47 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:223.11
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:222.02554
Monoisotopic Mass:222.02554
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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