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BENZALDEHYDE-D6

BENZALDEHYDE-D6 structure

CAS No:
14132-51-5
Formula:
C7HD5O
Chemical Name:
BENZALDEHYDE-D6
Synonyms:
Benzaldehyde-d6;deuterio-(2,3,4,5,6-pentadeuteriophenyl)methanone;SCHEMBL1331284;(formyl-~2~H_6_)Benzaldehyde;Benzaldehyde-d6, 98 atom % D;DTXSID40514616;AKOS015889552
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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BENZALDEHYDE-D6 Basic Attributes

Molecular Weight：

111.15

Exact Mass：

106.041862

DSSTox ID：

DTXSID70457148

Characteristics

PSA：

17.07000

XLogP3：

1.64

Density：

1.103 g/mL at 25 °C

Melting Point：

−26 °C(lit.)

Boiling Point：

178-179 °C(lit.)

Flash Point：

145 °F

Refractive Index：

n 20/D 1.545(lit.)

Safety Information

Transport codes：

UN 1990 9/PG 3

wgk germany：

hazard class code：

22-42/43-40-36/37/38

safety instructions：

24-36-26

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

Computed Properties

Molecular Weight:111.15
XLogP3:1.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:111.073248540
Monoisotopic Mass:111.073248540
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:72.5
Isotope Atom Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes