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2-Bromoethylbenzoate

2-Bromoethylbenzoate structure

CAS No:
939-54-8
Formula:
C9H9BrO2
Chemical Name:
2-Bromoethylbenzoate
Synonyms:
2-BROMOETHYL BENZOATE;2-Bromoethyl benzoate 98%;BENZOIC ACID 2-BOMOETHYL ESTER;BENZOIC ACID 2-BROMOETHYL ESTER
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-Bromoethylbenzoate Basic Attributes

Molecular Weight：

247.086

Exact Mass：

245.989151

DSSTox ID：

DTXSID30335150

HScode：

2916310090

Characteristics

PSA：

26.30000

XLogP3：

2.23830

Density：

1.445 g/mL at 25 °C(lit.)

Boiling Point：

157-159 °C20 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

n20/D 1.548(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi:Irritant;

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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:229.07
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:227.97859
Monoisotopic Mass:227.97859
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Bromoethylbenzoate

CAS No.: 939-54-8

Grade: Industrial Grade

Content: 90%

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