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Heptanoic acid, 2-bromo-, ethyl ester

Heptanoic acid, 2-bromo-, ethyl ester structure

CAS No:
5333-88-0
Formula:
C9H17BrO2
Chemical Name:
Heptanoic acid, 2-bromo-, ethyl ester
Synonyms:
Heptanoic acid,2-bromo-,ethyl ester;Enanthic acid,α-bromo-,ethyl ester;Ethyl 2-bromoheptanoate;NSC 2356;151094-00-7

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Heptanoic acid, 2-bromo-, ethyl ester Basic Attributes

Molecular Weight：

237.13

Exact Mass：

237.13

EC Number：

226-249-7

NSC Number：

2356

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

2.89330

Density：

1.211 g/mL at 25 °C(lit.)

Boiling Point：

50 °C @ Press: 0.4 Torr

Flash Point：

220 °F

Safety Information

Hazard category：

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

34-36/37

safety instructions：

26-27-28-36/37/39-45

Marks：

Precautionary statement(s)：

P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, P501

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:237.13
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:236.04119
Monoisotopic Mass:236.04119
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:126
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Heptanoic acid, 2-bromo-, ethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Heptanoic acid, 2-bromo-, ethyl ester

SDS

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