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ETHYLBROMOACETATE-2-13C

ETHYLBROMOACETATE-2-13C structure

CAS No:
85539-84-0
Formula:
C4H7BrO2
Chemical Name:
ETHYLBROMOACETATE-2-13C
Synonyms:
ETHYL BROMOACETATE-2-13C;ETHYL BROMOACETATE-2-13C, 99 ATOM % 13C;13C Labeled acrylic acid;13C Labeled ethyl bromoacetate;PQJJJMRNHATNKG-LBPDFUHNSA-N

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ETHYLBROMOACETATE-2-13C Basic Attributes

Molecular Weight：

168.01

Exact Mass：

166.96630

DSSTox ID：

DTXSID80449998

Characteristics

Density：

1.515 g/mL at 25 °C

Boiling Point：

159 °C(lit.)

Refractive Index：

n20/D 1.451(lit.)

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 1603 6.1/PG 2

wgk germany：

hazard class code：

26/27/28

safety instructions：

26-45-7/9

Marks：

T+

ETHYLBROMOACETATE-2-13C Use and Manufacturing

ETHYL BROMOACETATE-2-13C is used in the synthesis of metabolites of carcinogenic PAHs. Used in the preparation of steroidal antiestrogens through cyclic condensation. A reactant in the preparation of antimicrobial and antioxidant coumarinyloxymethyl-thiadiazolone.

Computed Properties

Molecular Weight:167.99
XLogP3:1.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:166.96630
Monoisotopic Mass:166.96630
Topological Polar Surface Area:26.3
Heavy Atom Count:7
Complexity:62.7
Isotope Atom Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: propylene oxide; oleate; isopropanol chemical formula; nocl; formula for potassium sulphate; oxycycline

Guide of ETHYLBROMOACETATE-2-13C

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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